Benzoyl bromide (BzBr)

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2017-09-27 12h:12m:16s (EST)

O

1. Query Br

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Reaxys ID 1855439 View in Reaxys

1/1 CAS Registry Number: 618-32-6 Chemical Name: Benzoyl bromide; benzoyl bromide; benzoic acid bromide; benzoylbromide; Benzoylbromid; Benzoesaeurebromid; benzylic bromide Linear Structure Formula: BrC(O)C6H5 Molecular Formula: C7H5BrO Molecular Weight: 185.02 Type of Substance: isocyclic InChI Key: AQIHMSVIAGNIDM-UHFFFAOYSA-N Note:

Br O

Substance Label (21) Label References 17

Tokumaru, Kazuyuki; Johnston, Jeffrey N.; Chemical Science; vol. 8; nb. 4; (2017); p. 3187 - 3191, View in Reaxys

6

Peng, Cheng; Zhai, Jiaojiao; Xue, Mingqiang; Xu, Fan; Organic and Biomolecular Chemistry; vol. 15; nb.

18; (2017); p. 3968 - 3974, View in Reaxys

5

Cano, Rafael; Yus, Miguel; Ramon, Diego J.; Tetrahedron; vol. 69; nb. 34; (2013); p. 7056 - 7065, View in Reaxys; Ogiwara, Yohei; Maegawa, Yuki; Sakino, Daisuke; Sakai, Norio; Chemistry Letters; vol.

45; nb. 7; (2016); p. 790 - 792, View in Reaxys

4b

Baral, Ek Raj; Lee, Yong Rok; Kim, Sung Hong; Wee, Young-Jung; Synthesis (Germany); vol. 48; nb. 4; (2016); p. 579 - 587; Art.No: SS-2015-F0644-OP, View in Reaxys

II

Patent; Zhao, Lina; (10 pag.); CN105367512; (2016); (A) Chinese, View in Reaxys

2

Patent; Chengdu Cardiff Technology Co., Ltd; Liao, Ruer; (4 pag.); CN105439905; (2016); (A) Chinese, View in Reaxys

I

Patent; Yang, Xiujuan; (9 pag.); CN105461528; (2016); (A) Chinese, View in Reaxys

III

Patent; Jiangsu Haiyang Chemical Fiber Limited Company; Huang, Guigen; Chen, Liang; Zhang, Zhimeng; (10 pag.); CN104725265; (2016); (B) Chinese, View in Reaxys

PhCOBr

Funabiki, Kazumasa; Fukushima, Yoshitaka; Matsui, Masaki; Shibata, Katsuyoshi; Journal of Organic Chemistry; vol. 65; nb. 2; (2000); p. 606 - 609, View in Reaxys; Meinzer, Alexandra; Breckel, Andrea; Thaher, Bassam Abu; Manicone, Nico; Otto, Hans-Hartwig; Helvetica Chimica Acta; vol. 87; nb. 1; (2004); p. 90 - 105, View in Reaxys; Murray, Christopher B.; Sandford, Graham; Korn, Stewart R.; Yufit, Dmitrii S.; Howard, Judith A.K.; Journal of Fluorine Chemistry; vol. 126; nb. 4; (2005); p. 571 - 576, View in Reaxys; Cincinelli, Raffaella; Musso, Loana; Merlini, Lucio; Giannini, Giuseppe; Vesci, Loredana; Milazzo, Ferdinando M.; Carenini, Nives; Perego, Paola; Penco, Sergio; Artali, Roberto; Zunino, Franco; Pisano, Claudio; Dallavalle, Sabrina; Bioorganic and Medicinal Chemistry; vol. 22; nb. 3; (2014); p. 1089 - 1103, View in Reaxys; Akremi, Ali; Beji, Mohamed; Baklouti, Ahmed; Journal of Heterocyclic Chemistry; vol. 52; nb. 2; (2015); p. 586 - 591, View in Reaxys

2a

Kuniyasu, Hitoshi; Sanagawa, Atsushi; Nakane, Daisuke; Iwasaki, Takanori; Kambe, Nobuaki; Bobuatong, Karan; Lu, Yunpeng; Ehara, Masahiro; Organometallics; vol. 32; nb. 6; (2013); p. 2026 - 2032, View in Reaxys; Li, Jing-Ran; Li, Dong-Dong; Wang, Rong-Rong; Sun, Jian; Dong, Jing-Jun; Du, QianRu; Fang, Fei; Zhang, Wei-Ming; Zhu, Hai-Liang; European Journal of Medicinal Chemistry; vol. 75; (2014); p. 438 - 447, View in Reaxys

5'; PhC(O)I

Kuniyasu, Hitoshi; Sanagawa, Atsushi; Nakajima, Takuya; Iwasaki, Takanori; Kambe, Nobuaki; Bobuatong, Karan; Ehara, Masahiro; Journal of Organometallic Chemistry; vol. 769; (2014); p. 34 - 37, View in Reaxys

2e

Solaiselvi, Rajarethinam; Shanmugam, Ponnusamy; Mandal, Asit Baran; Organic Letters; vol. 15; nb. 6; (2013); p. 1186 - 1189, View in Reaxys

2t

Yoshida, Hiroto; Mimura, Yasuhiro; Ohshita, Joji; Kunai, Atsutaka; Chemical Communications; nb. 23; (2007); p. 2405 - 2407, View in Reaxys

BzBr

Bhattacharyya; Magnusson; Wellmar; Nilsson; Journal of the Chemical Society. Perkin Transactions 1; nb.

7; (2001); p. 886 - 890, View in Reaxys; Kobayashi, Kumiko; Watahiki, Tsutomu; Oriyama, Takeshi; Synthesis; nb. 4; (2003); p. 484 - 486, View in Reaxys; Polat, Tuelay; Linhardt, Robert J.; Carbohydrate Research; vol. 338; nb. 5; (2003); p. 447 - 449, View in Reaxys; Garcia-Rio; Hall; Mejuto; Rodriguez-Dafonte; Tetrahedron; vol. 63; nb. 10; (2007); p. 2208 - 2214, View in Reaxys; Pei, Zhichao; Dong, Hai; Caraballo, Remi; Ramstroem, Olof; European Journal of Organic Chemistry; nb. 29; (2007); p. 4927 - 4934, View in Reaxys

educt to 13

Khiar, Noureddine; Araujo, Cristina Serrano; Suarez, Belen; Fernandez, Inmaculada; European Journal of Organic Chemistry; nb. 7; (2006); p. 1685 - 1700, View in Reaxys

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Tab. 2, entry 2

Shah, Syed T. A.; Khan, Khalid M.; Hussain, Hidayat; Hayat, Safdar; Voelter, Wolfgang; Monatshefte fur Chemie; vol. 136; nb. 9; (2005); p. 1583 - 1589, View in Reaxys

bromide for 9

Thomas, Gemma L.; Boehner, Christine; Ladlow, Mark; Spring, David R.; Tetrahedron; vol. 61; nb. 51; (2005); p. 12153 - 12159, View in Reaxys

2c

Ishino, Yoshio; Mihara, Masatoshi; Takeuchi, Takeshi; Takemoto, Masanobu; Tetrahedron Letters; vol.

45; nb. 17; (2004); p. 3503 - 3506, View in Reaxys

6b

Makihara, Taiki; Nojima, Takayuki; Ishiguro, Katsuya; Sawaki, Yasuhiko; Tetrahedron Letters; vol. 44; nb. 4; (2003); p. 865 - 868, View in Reaxys

1c

Yang, Feng-Yu; Shanmugasundaram, Muthian; Chuang, Shih-Yih; Ku, Po-Jen; Wu, Ming-Yuan; Cheng, Chien-Hong; Journal of the American Chemical Society; vol. 125; nb. 41; (2003); p. 12576 - 12583, View in Reaxys

3

Liu, Kwang-Ting; Hou, Iuan-Jye; Tetrahedron; vol. 57; nb. 16; (2001); p. 3343 - 3347, View in Reaxys

Patent-Specific Data (3) Prophetic ComLocation in Patent References pound Page/Page column

Patent; The University of Tokyo; Riken; NAGANO Tetsuo; OKABE Takayoshi; KOJIMA Hirotatsu; SAITO Nae; NAKANO Hirofumi; ABE Masanao; TANAKA Akiko; HONMA Teruki; YOKOYAMA Shigeyuki; TSUGANEZAWA Keiko; YUKI Hitomi; EP2565192; (2013); (A1) English, View in Reaxys; Patent; Christou, Ivy; Cross, Rebecca Lillian; Gianella-Borradori, Matteo; Greaves, David Robert; Russell, Angela Jane; Wynne, Graham Michael; US2014/378451; (2014); (A1) English, View in Reaxys Patent; Council of Scientific and Industrial Research; US2005/222465; (2005); (A1) English, View in Reaxys

prophetic product

Patent; American Cyanamid Company; US4288592; (1981); (A1) English, View in Reaxys; Patent; Teijin Limited; US4009196; (1977); (A1) English, View in Reaxys; Patent; Sumitomo Chemical Company, Limited; US4055565; (1977); (A1) English, View in Reaxys

Druglikeness (1) 1 of 1

LogP

2.471

H Bond Donors

0

H Bond Acceptors

1

Rotatable Bonds

1

TPSA

17.07

Lipinski Number

4

Veber Number

2

Derivative (2) Comment (Derivative)

Derivative

References

N-phenyl benzoyl amide

Saraf, S. D.; Journal fuer Praktische Chemie (Leipzig); vol. 323; nb. 4; (1981); p. 673 676, View in Reaxys

Benzanilid

Ol'dekop; Kalinina; J. Gen. Chem. USSR (Engl. Transl.); vol. 34; (1964); p. 3473,3515, View in Reaxys

Melting Point (3) 1 of 3

Melting Point [°C]

5.5 - 7.5

Solvent (Melting Point)

pentane

Borkman; Kearns; Journal of Chemical Physics; vol. 46; (1967); p. 2333,2337, View in Reaxys 2 of 3

Melting Point [°C]

8.1

Martin; Partington; Journal of the Chemical Society; (1936); p. 1175,1177, View in Reaxys 3 of 3

Melting Point [°C]

0

Claisen; Chemische Berichte; vol. 14; (1881); p. 2475, View in Reaxys Boiling Point (25) Boiling Point [°C] Pressure (Boiling Point) [Torr]

Comment (Boiling References Point)

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143

13

Matveeva; Podrugina; Sandakova; Zefirov; Russian Journal of Organic Chemistry; vol. 40; nb. 10; (2004); p. 1469 - 1472, View in Reaxys

218 - 219

760

Aizpurua, Jesus Mari; Palomo, Claudio; Synthesis; nb. 8; (1982); p. 684 - 686, View in Reaxys

107 - 108

31

Schmidt, Arthur H.; Russ, Manuel; Grosse, Detlef; Synthesis; nb.

3; (1981); p. 216 - 218, View in Reaxys

220 - 221

747.6

Saraf, S. D.; Journal fuer Praktische Chemie (Leipzig); vol. 323; nb.

4; (1981); p. 673 - 676, View in Reaxys

95

12

Anders; Synthesis; (1978); p. 586, View in Reaxys

214 - 216

Jaura et al.; Journal of Inorganic and Nuclear Chemistry; vol. 38; (1976); p. 2010, View in Reaxys

216 - 218

Saraf,S.D.; Zaki,M.; Synthesis; (1973); p. 612 - 613, View in Reaxys

75 - 78

5

Sheinkman et al.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 6; (1970); p. 1413; Khimiya Geterotsiklicheskikh Soedinenii; vol. 6; (1970); p. 1515, View in Reaxys

216 - 218

760

Sheinkman et al.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 6; (1970); p. 1413; Khimiya Geterotsiklicheskikh Soedinenii; vol. 6; (1970); p. 1515, View in Reaxys

93 - 95

13

Gloede; Gross; Chemische Berichte; vol. 100; (1967); p. 1770, View in Reaxys

93 - 97

12

Gloede; Gross; Chemische Berichte; vol. 100; (1967); p. 1770, View in Reaxys

99 - 103

15

Gloede; Gross; Chemische Berichte; vol. 100; (1967); p. 1770, View in Reaxys

46

1

Ol'dekop,Yu.A. et al.; Zhurnal Organicheskoi Khimii; vol. 1; nb. 9; (1965); p. 1540 - 1544,1562 - 1566, View in Reaxys

58

2

Ol'dekop; Kalinina; J. Gen. Chem. USSR (Engl. Transl.); vol. 34; (1964); p. 3473,3515, View in Reaxys

55 - 59

2

Ol'dekop et al.; Doklady Chemistry; vol. 139; (1961); p. 862; Doklady Akademii Nauk SSSR; vol. 139; (1961); p. 1383, View in Reaxys

214.5 - 216

Yamase; Goto; Nippon Kagaku Zasshi; vol. 81; (1960); p.

1906,1909; Chem.Abstr.; vol. 56; nb. 3397; (1962), View in Reaxys

94 - 95

14

Horner et al.; Justus Liebigs Annalen der Chemie; vol. 626; (1959); p. 26,33, View in Reaxys

48 - 50

0.05

Carpino; Journal of the American Chemical Society; vol. 79; (1957); p. 96, View in Reaxys

80

7

Swain; Scott; Journal of the American Chemical Society; vol. 75; (1953); p. 246, View in Reaxys

215

741

Martin; Partington; Journal of the Chemical Society; (1936); p.

1175,1177, View in Reaxys

90 - 92

13

Kohlrausch; Pongratz; Monatshefte fuer Chemie; vol. 64; (1934); p.

374,382, View in Reaxys

218 - 219

761.7

Davies; Hambly; Semmens; Journal of the Chemical Society; (1933); p. 1309,1313, 1314, View in Reaxys

217 - 218

745

Bernoulli; Goar; Helvetica Chimica Acta; vol. 9; (1926); p. 762, View in Reaxys

218 - 220

739

Adams; Ulich; Journal of the American Chemical Society; vol. 42; (1920); p. 607, View in Reaxys

218 - 219

Fluessigkeit.

Claisen; Chemische Berichte; vol. 14; (1881); p. 2475, View in Reaxys

Refractive Index (8)

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Refractive Index

Wavelength (Refractive Index) [nm]

Temperature (Refractive Index) [°C]

References

1.5869

589

22

Gloede; Gross; Chemische Berichte; vol. 100; (1967); p. 1770, View in Reaxys

1.588

589

21

Gloede; Gross; Chemische Berichte; vol. 100; (1967); p. 1770, View in Reaxys

1.5886

589

22

Ol'dekop; Kalinina; J. Gen. Chem. USSR (Engl. Transl.); vol. 34; (1964); p. 3473,3515, View in Reaxys

1.5871

589

20

Bender; Jones; Journal of Organic Chemistry; vol. 27; (1962); p.

3771,3772, View in Reaxys

1.5841

589

22

Ol'dekop et al.; Doklady Chemistry; vol. 139; (1961); p. 862; Doklady Akademii Nauk SSSR; vol. 139; (1961); p. 1383, View in Reaxys

1.5868

589

25

Carpino; Journal of the American Chemical Society; vol. 79; (1957); p. 96, View in Reaxys

1.5864

589

25

Swain; Scott; Journal of the American Chemical Society; vol. 75; (1953); p. 246, View in Reaxys

1.59

589

20

Martin; Partington; Journal of the Chemical Society; (1936); p.

1175,1177, View in Reaxys

Density (3) 1 of 3

Density [g·cm-3]

1.527 - 1.5564

Reference Temperature [°C]

4

Measurement Temperature [°C]

10

Gutmann; Utvary; Monatshefte fuer Chemie; vol. 89; (1958); p. 186,187, View in Reaxys 2 of 3

Density [g·cm-3]

1.5461

Reference Temperature [°C]

4

Measurement Temperature [°C]

20

Martin; Partington; Journal of the Chemical Society; (1936); p. 1175,1177, View in Reaxys 3 of 3

Density [g·cm-3]

1.57

Measurement Temperature [°C]

15

Claisen; Chemische Berichte; vol. 14; (1881); p. 2475, View in Reaxys Association (MCS) (1) 1 of 1

Description (Association Association with compound (MCS)) Comment (Association (MCS))

Bildung einer kristallinen Verbindung (1:1).

Partner (Association (MCS))

N,N-dimethyl-formamide

Hall; Journal of the American Chemical Society; vol. 78; (1956); p. 2717, View in Reaxys Conformation (1) Object of Investi- References gation Conformation

Anet; Ghiaci; Journal of the Chemical Society, Chemical Communications; (1979); p. 588, View in Reaxys

Dissociation Energy (1) References Silhan; Schmidt; Monatshefte fuer Chemie; vol. 102; (1971); p. 1481,1483, View in Reaxys Dynamic Viscosity (1)

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Dynamic Viscosity [P]

Temperature (Dynamic Viscosity) [°C]

References

0.01432 0.02334

10 - 40

Gutmann; Utvary; Monatshefte fuer Chemie; vol. 89; (1958); p. 186,187, View in Reaxys

Electrical Data (2) 1 of 2

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- bei 10-35grad. ta) Gutmann; Utvary; Monatshefte fuer Chemie; vol. 89; (1958); p. 186,187, View in Reaxys 2 of 2

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- in DMF bei 20.1grad. ta) Hall; Journal of the American Chemical Society; vol. 78; (1956); p. 2717, View in Reaxys Electrical Moment (1) 1 of 1

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.37

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

benzene

Martin; Partington; Journal of the Chemical Society; (1936); p. 1175,1177, View in Reaxys Electrochemical Behaviour (1) Description (Elec- References trochemical Behaviour) Electrolytic dissociation / protonation equilibrium

Jones; Ritchie; Journal of the Chemical Society; (1960); p. 4141,4151, View in Reaxys

Electrochemical Characteristics (2) 1 of 2

Temperature (Electrochemical Characteristics) [°C]

25

Comment (Electrochem- Other electrode; potential diagram; 1-butyl-3-methylimidazolium tetrafluoborate saturated ical Characteristics) with CO2 Feng, Qiuju; Tan, Guishan; Li, Yuanjian; Zeng, Wenbin; Yan, Wenbin; Asian Journal of Chemistry; vol. 26; nb.

11; (2014); p. 3241 - 3242, View in Reaxys 2 of 2

Description (Electrochemical Characteristics)

polarographic half-wave potential

Pykhtina et al.; Doklady Physical Chemistry; vol. 214-219; (1974); p. 285, View in Reaxys Electron Binding (1) Description (Elec- References tron Binding) Electron affinity

Pykhtina et al.; Doklady Physical Chemistry; vol. 214-219; (1974); p. 285, View in Reaxys

Further Information (8) Description (Fur- References ther Information) Further information

Condit et al.; Applied Spectroscopy; vol. 28; (1974); p. 420,422, View in Reaxys

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Further information

Al-Jallo; Jalhoom; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 28; (1972); p. 1655,1658, View in Reaxys

Further information

Shashidhar; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 27; (1971); p.

2363,2367, View in Reaxys

Further information

Kuivila; Walsh; Journal of the American Chemical Society; vol. 88; (1966); p. 571,574, View in Reaxys

Further information

Kollonitsch; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1966); p. 453, View in Reaxys

Further information

Delorme et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 62; (1965); p. 3,4, View in Reaxys

Further information

Huang; Lee; Tetrahedron Letters; (1963); p. 711, View in Reaxys

Further information

Michel; Bulletin des Societes Chimiques Belges; vol. 72; (1963); p. 138, View in Reaxys

Solution Behaviour (MCS) (1) 1 of 1

Description (Solution Behaviour (MCS))

Dissolving capacity

Temperature (Solution Behaviour (MCS)) [°C]

20

Partner (Solution Behaviour (MCS))

metal bromide

Gutmann; Utvary; Monatshefte fuer Chemie; vol. 90; (1959); p. 751,761, View in Reaxys Static Dielectric Constant (1) Static Dielectric Temperature Constant (Static Dielectric Constant) [°C] 22.54 - 19.09

10 - 40

References

Gutmann; Utvary; Monatshefte fuer Chemie; vol. 89; (1958); p. 186,187, View in Reaxys

NMR Spectroscopy (10) 1 of 10

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

17O

Solvents (NMR Spectro- acetonitrile scopy) Temperature (NMR Spectroscopy) [°C]

40

Dahn, Hans; Pechy, Peter; Van Toan, Vien; Magnetic Resonance in Chemistry; vol. 35; nb. 9; (1997); p. 589 - 592, View in Reaxys 2 of 10

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Froeyen, Paul; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 102; nb. 1-4; (1995); p. 253 - 260, View in Reaxys; Vedejs, Edwin; Daugulis, Olafs; Journal of Organic Chemistry; vol. 61; nb. 17; (1996); p. 5702 5703, View in Reaxys 3 of 10

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CD2Cl2 scopy)

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Vedejs, Edwin; Daugulis, Olafs; Journal of Organic Chemistry; vol. 61; nb. 17; (1996); p. 5702 - 5703, View in Reaxys 4 of 10

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CDCl3 scopy) Froeyen, Paul; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 102; nb. 1-4; (1995); p. 253 - 260, View in Reaxys 5 of 10

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- acetone scopy) Cheng, C. P.; Lin, S. C.; Shaw, Guan-Su; Journal of Magnetic Resonance (1969-1992); vol. 69; nb. 1; (1986); p. 58 - 67, View in Reaxys 6 of 10

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

17O

Solvents (NMR Spectro- neat (no solvent) scopy) Cheng, C. P.; Lin, S. C.; Shaw, Guan-Su; Journal of Magnetic Resonance (1969-1992); vol. 69; nb. 1; (1986); p. 58 - 67, View in Reaxys 7 of 10

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CCl4 scopy) Aizpurua, Jesus Mari; Palomo, Claudio; Synthesis; nb. 8; (1982); p. 684 - 686, View in Reaxys 8 of 10

Description (NMR Spec- NMR troscopy) Castellano; Sun; Journal of the American Chemical Society; vol. 88; (1966); p. 4742, View in Reaxys; Glukhikh; Voronkov; Doklady Physical Chemistry; vol. 244-249; (1979); p. 744, View in Reaxys; Anet; Ghiaci; Journal of the Chemical Society, Chemical Communications; (1979); p. 588, View in Reaxys

9 of 10

Description (NMR Spec- Chemical shifts troscopy) Hayamizu; Yamamoto; Journal of Molecular Spectroscopy; vol. 28; (1968); p. 89,97, View in Reaxys

10 of 10

Description (NMR Spec- Spin-spin coupling constants troscopy) Hayamizu; Yamamoto; Journal of Molecular Spectroscopy; vol. 28; (1968); p. 89,97, View in Reaxys

IR Spectroscopy (8) 1 of 8

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1820 cm**(-1)

Froeyen, Paul; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 102; nb. 1-4; (1995); p. 253 - 260, View in Reaxys

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2 of 8

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

hexane

Comment (IR Spectroscopy)

1780 cm**(-1)

Neville; Brown; Rayner; Lusztyk; Ingold; Journal of the American Chemical Society; vol. 113; nb. 5; (1991); p.

1869 - 1870, View in Reaxys 3 of 8

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CH2Cl2

Comment (IR Spectroscopy)

1800 cm**(-1)

Aizpurua, Jesus Mari; Palomo, Claudio; Synthesis; nb. 8; (1982); p. 684 - 686, View in Reaxys 4 of 8

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

1780 - 700 cm**(-1)

Saraf, S. D.; Journal fuer Praktische Chemie (Leipzig); vol. 323; nb. 4; (1981); p. 673 - 676, View in Reaxys 5 of 8

Description (IR Spectroscopy)

Bands

Laurence et al.; Journal of the American Chemical Society; vol. 101; (1979); p. 4793,4795, View in Reaxys 6 of 8

Description (IR Spectroscopy)

IR

Butruille,D. et al.; Tetrahedron; vol. 27; (1971); p. 2055 - 2067, View in Reaxys; Guiheneuf et al.; Bulletin de la Societe Chimique de France; (1970); p. 571, View in Reaxys; Kiss; Horvath; Acta Chimica Academiae Scientiarum Hungaricae; vol. 66; (1970); p. 431,434, 437, View in Reaxys; Green; Harrison; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 33; (1977); p. 583,584, View in Reaxys; Guiheneuf et al.; Bulletin de la Societe Chimique de France; (1971); p. 1157,1160, 1162, View in Reaxys 7 of 8

Description (IR Spectroscopy)

Spectrum

Al-Jallo; Jalhoom; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 28; (1972); p.

1655,1658, View in Reaxys; Condit et al.; Applied Spectroscopy; vol. 28; (1974); p. 420,422, View in Reaxys; Yoshida; Chemical and Pharmaceutical Bulletin; vol. 10; (1962); p. 450,457, View in Reaxys; Rao; Venkataraghavan; Spectrochimica Acta; vol. 18; (1962); p. 273,275, View in Reaxys 8 of 8

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

1800 - 1150 cm**(-1)

Cooke et al.; Helvetica Chimica Acta; vol. 37; (1954); p. 1280,1282, View in Reaxys Mass Spectrometry (2) Description (Mass References Spectrometry) spectrum

Froeyen, Paul; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 102; nb. 1-4; (1995); p. 253 260, View in Reaxys

appearance potentials

Elder Jr. et al.; Organic Mass Spectrometry; vol. 11; (1976); p. 423,426, View in Reaxys; Majer; Patrick; Transactions of the Faraday Society; vol. 59; (1963); p. 1274,1275, View in Reaxys

UV/VIS Spectroscopy (3) 1 of 3

Description (UV/VIS Spectroscopy)

Spectrum

Borkman; Kearns; Journal of Chemical Physics; vol. 46; (1967); p. 2333,2337, View in Reaxys; Shashidhar; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 27; (1971); p. 2363,2367, View in Reaxys

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2 of 3

Description (UV/VIS Spectroscopy)

UV/VIS

Yates et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 765, View in Reaxys; Kiss; Horvath; Acta Chimica Academiae Scientiarum Hungaricae; vol. 66; (1970); p. 431,434, 437, View in Reaxys 3 of 3

Description (UV/VIS Spectroscopy)

Absorption maxima

Bender; Jones; Journal of Organic Chemistry; vol. 27; (1962); p. 3771,3772, View in Reaxys NQR Spectroscopy (1) Description (NQR Comment (NQR Spectroscopy) Spectroscopy) Nuclear quadrupole resonance

81Br-NQR-Ab-

Bray; Journal of Chemical Physics; vol. 22; (1954); p. 1787, View in Reaxys

sorption bei -196grad.

Raman Spectroscopy (2) Description (Ram- Comment (Raman Spectroscopy) an Spectroscopy) Spectrum

Bands

References

References Kohlrausch; Pongratz; Monatshefte fuer Chemie; vol. 64; (1934); p. 374,382, View in Reaxys; Kohlrausch; Monatshefte fuer Chemie; vol. 76; (1946); p. 231,247, View in Reaxys; Herz; Kahovec; Kohlrausch; Monatshefte fuer Chemie; vol. 74; (1943); p. 253,265, View in Reaxys; Michel; Renson; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 23; (1967); p. 1435,1438, View in Reaxys; Michel; Bulletin des Societes Chimiques Belges; vol. 72; (1963); p. 138, View in Reaxys; Condit et al.; Applied Spectroscopy; vol. 28; (1974); p. 420,422, View in Reaxys

1800-1550 cmE-1 Michel; Bulletin des Societes Chimiques Belges; vol. 68; (1959); p. 643,646, View in Reaxys

Phosphorescence Spectroscopy (1) Description References (Phosphorescence Spectroscopy) Phosphorescence Borkman; Kearns; Journal of Chemical Physics; vol. 46; (1967); p. 2333,2337, View in Reaxys Use (2) Use Pattern

References

acylation of aromatic compounds

Patent; Council of Scientific and Industrial Research; US2005/222465; (2005); (A1) English, View in Reaxys

acylating agent

Patent; Council of Scientific and Industrial Research; US2005/222465; (2005); (A1) English, View in Reaxys

Quantum Chemical Calculations (1) Calculated Prop- Method (Quantum Location erties Chemical Calculations) Atom distances, angles; Total energy

Ab initio calcns.

(LCAO, GO SCF, DIM, SAMO, X-à, Hartree-Fock)

supporting information

Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

References

Kuniyasu, Hitoshi; Sanagawa, Atsushi; Nakane, Daisuke; Iwasaki, Takanori; Kambe, Nobuaki; Bobuatong, Karan; Lu, Yunpeng; Ehara, Masahiro; Organometallics; vol. 32; nb. 6; (2013); p. 2026 2032, View in Reaxys

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