2-cyclopentyl-2-hydroxy-2-phenylacetic acid (alpha-Cyclopentylmandelic acid) [CAS 427-49-6; I

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5 substances in Reaxys

2016-04-25 15h:05m:56s (EST)

4 substances in Reaxys

2016-04-25 15h:07m:15s (EST)

OH O

1. Query

HO

Search as: As drawn 2. Query

(1. Query) AND NOT itemno in (4)

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Reaxys ID 645730 View in Reaxys

1/4 CAS Registry Number: 427-49-6 Chemical Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid Linear Structure Formula: C13H16O3 Molecular Formula: C13H16O3 Molecular Weight: 220.268 Type of Substance: isocyclic InChI Key: WFLUEQCOAQCQLP-UHFFFAOYSA-N Note:

OH O HO

Substance Label (8) Label References 38

Feng, Qiang; Song, Qiuling; Journal of Organic Chemistry; vol. 79; nb. 4; (2014); p. 1867 - 1871, View in Reaxys

1

Patent; Bodor, Nicholas S.; US2007/123557; (2007); (A1) English, View in Reaxys; Allmendinger, Thomas; Bixel, Dominique; Clarke, Adrian; Di Geronimo, Laura; Fredy, Jean-Wilfried; Manz, Marco; Gavioli, Elena; Wicky, Regine; Schneider, Martin; Stauffert, Fabien J.; Tibi, Markus; Valentekovic, Darko; Organic Process Research and Development; vol. 16; nb. 11; (2012); p. 1754 - 1769, View in Reaxys

5a

Kumar, Naresh; Kaur, Kirandeep; Aeron, Shelly; Dharmarajan, Sankaranarayanan; Silamkoti, Arun D.V.; Mehta, Anita; Gupta, Suman; Chugh, Anita; Gupta, Jang B.; Salman, Mohammad; Palle, Venkata P.; Cliffe, Ian A.; Bioorganic and Medicinal Chemistry Letters; vol. 17; nb. 18; (2007); p. 5256 - 5260, View in Reaxys

17

Mitsuya; Kobayashi; Kawakami; Satoh; Ogino; Kakikawa; Ohtake; Kimura; Hirose; Sato; Numazawa; Hasegawa; Noguchi; Mase; Journal of Medicinal Chemistry; vol. 43; nb. 26; (2000); p. 5017 - 5029, View in Reaxys

5e

Mitsuya, Morihiro; Mase, Toshiaki; Tsuchiya, Yoshimi; Kawakami, Kumiko; Hattori, Hiromi; Kobayashi, Kensuke; Ogino, Yoshio; Fujikawa, Toru; Satoh, Akio; Kimura, Toshifumi; Noguchi, Kazuhito; Ohtake, Norikazu; Tomimoto, Koji; Bioorganic and Medicinal Chemistry; vol. 7; nb. 11; (1999); p. 2555 - 2567, View in Reaxys

IV

Dobrina; Joffe; Pharmaceutical Chemistry Journal; vol. 11; nb. 6; (1977); p. 817; Khimiko-Farmatsevticheskii Zhurnal; vol. 11; nb. 6; (1977); p. 90,92, View in Reaxys

15

Blumbergs et al.; Journal of Organic Chemistry; vol. 37; (1972); p. 1248,1249, 1251, View in Reaxys

II

Bobysheva et al.; Journal of Organic Chemistry USSR (English Translation); vol. 8; (1972); p. 2109; Zhurnal Organicheskoi Khimii; vol. 8; (1972); p. 2062, View in Reaxys

Patent-Specific Data (7) Location in Patent References Patent; RANBAXY LABORATORIES LIMITED; WO2007/77510; (2007); (A2) English, View in Reaxys Patent; RANBAXY LABORATORIES LIMITED; WO2006/18708; (2006); (A2) English, View in Reaxys Patent; RANBAXY LABORATORIES LIMITED; WO2006/54162; (2006); (A1) English, View in Reaxys Patent; RANBAXY LABORATORIES LIMITED; WO2004/56767; (2004); (A1) English, View in Reaxys Patent; RANBAXY LABORATORIES LIMITED; WO2004/14853; (2004); (A1) English, View in Reaxys Patent; RANBAXY LABORATORIES LIMITED; GUPTA, Jang, Bahadur; WO2004/89363; (2004); (A1) English, View in Reaxys Claim Derivative (2) Comment (Derivative) (-)-Saeure-(-)Amphetaminsalz: F: 193-195grad, <α>(D):-16.8grad (Tab.II)

Patent; Institute of Pharmacology and Toxicology Academy of Military Sciences P.L.A.; US6028198; (2000); (A1) English, View in Reaxys References Atkinson et al.; Journal of Medicinal Chemistry; vol. 20; (1977); p. 1612, View in Reaxys

(+)-Saeure(+)Am- Atkinson et al.; Journal of Medicinal Chemistry; vol. 20; (1977); p. 1612, View in Reaxys phetaminsalz: <α>(D):+15.3grad (Tab.II)

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Melting Point (10) 1 of 10

Melting Point [°C]

153 - 154

Wu; Mori; Buchwald; Bodor, Nicholas; Pharmazie; vol. 63; nb. 3; (2008); p. 200 - 209, View in Reaxys 2 of 10

Melting Point [°C]

153 - 154

Patent; Bodor, Nicholas S.; US2007/123557; (2007); (A1) English, View in Reaxys 3 of 10

Melting Point [°C]

148 - 150

Dobrina; Joffe; Pharmaceutical Chemistry Journal; vol. 11; nb. 6; (1977); p. 817; Khimiko-Farmatsevticheskii Zhurnal; vol. 11; nb. 6; (1977); p. 90,92, View in Reaxys 4 of 10

Melting Point [°C]

145 - 147

Atkinson et al.; Journal of Medicinal Chemistry; vol. 20; (1977); p. 1612, View in Reaxys 5 of 10

Melting Point [°C]

146.5 - 147.5

Blumbergs et al.; Journal of Organic Chemistry; vol. 37; (1972); p. 1248,1249, 1251, View in Reaxys 6 of 10

Melting Point [°C]

146 - 148

Bobysheva et al.; Journal of Organic Chemistry USSR (English Translation); vol. 8; (1972); p. 2109; Zhurnal Organicheskoi Khimii; vol. 8; (1972); p. 2062, View in Reaxys 7 of 10

Melting Point [°C]

148 - 150

Solvent (Melting Point)

benzene; petroleum ether

Pelz; Protiva; Collection of Czechoslovak Chemical Communications; vol. 32; nb. 8; (1967); p. 2840, View in Reaxys 8 of 10

Melting Point [°C]

148 - 149

Patent; Schyun Labs.; US2953565; (1960); Chem.Abstr.; vol. 55; nb. 7449a; (1961), View in Reaxys 9 of 10

Melting Point [°C]

148 - 149

Solvent (Melting Point)

acetic acid

Faust et al.; Journal of the American Chemical Society; vol. 81; (1959); p. 2214,2218, View in Reaxys 10 of 10

Melting Point [°C]

147 - 148

Biel et al.; Journal of the American Chemical Society; vol. 74; (1952); p. 1485,1487, View in Reaxys Crystal Phase (1) Description (Crys- References tal Phase) Crystal growth

Wu; Mori; Buchwald; Bodor, Nicholas; Pharmazie; vol. 63; nb. 3; (2008); p. 200 - 209, View in Reaxys

Further Information (1) Description (Fur- References ther Information) Further information

Chafetz; Journal of Pharmaceutical Sciences; vol. 53; (1964); p. 1192, View in Reaxys

NMR Spectroscopy (2) 1 of 2

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

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Wu; Mori; Buchwald; Bodor, Nicholas; Pharmazie; vol. 63; nb. 3; (2008); p. 200 - 209, View in Reaxys 2 of 2

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy)

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Frequency (NMR Spectroscopy) [MHz]

300

Original Text (NMR Spectroscopy)

1H NMR (CDCl ,300 MHz): 1.28-1.39, 1.42-1.50, 1.51-1.61, 1.63-1.72 [8H, m, (CH ) ], 3 2 4 2.93 [1H, p, CHC(OH)], 7.26-7.30, 7.33-7.36, 7.65-7.67(5H, m, Ph) ppm.

Comment (NMR Spectroscopy)

Signals given

Patent; Bodor, Nicholas S.; US2007/123557; (2007); (A1) English, View in Reaxys

Reaxys ID 8262053 View in Reaxys

2/4 CAS Registry Number: 64471-45-0 Chemical Name: (R)-α-cyclopentyl-α-hydroxy-α-phenylacetic acid; (R)-(-)-2-hydroxy-2-cyclopentyl-2-phenylacetic acid; (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid; (R)-(cyclopentyl)(phenyl)(hydroxyl)acetic acid; α-cyclopentylmandelic acid; (R)-2-cyclopentylmandelic acid; (2R)-(-)-2-hydroxy-2-cyclopentyl-2-phenyl acetic acid Linear Structure Formula: C13H16O3 Molecular Formula: C13H16O3 Molecular Weight: 220.268 Type of Substance: isocyclic InChI Key: WFLUEQCOAQCQLP-ZDUSSCGKSA-N Note:

OH O HO

Substance Label (9) Label References Preparation 1

Patent; Ji, YuHua; Husfeld, Craig; Lee, Rick; Mu, YongQi; Smith, Cameron; US2009/170870; (2009); (A1) English, View in Reaxys

5a (R)

Kumar, Naresh; Kaur, Kirandeep; Aeron, Shelly; Dharmarajan, Sankaranarayanan; Silamkoti, Arun D.V.; Mehta, Anita; Gupta, Suman; Chugh, Anita; Gupta, Jang B.; Salman, Mohammad; Palle, Venkata P.; Cliffe, Ian A.; Bioorganic and Medicinal Chemistry Letters; vol. 17; nb. 18; (2007); p. 5256 - 5260, View in Reaxys

R(-)1; 7; (R)-7

Patent; Bodor, Nicholas S.; US2007/123557; (2007); (A1) English, View in Reaxys

(R)-7

Liu, Yan-Qing; Liu, He; Zhong, Bo-Hua; Deng, Yu-Lin; Liu, Ke-Liang; Synthetic Communications; vol. 35; nb. 10; (2005); p. 1403 - 1412, View in Reaxys; Toth-Sarudy; Toth; Pallagi; Seres; Vitalis; Tapfer; Perczel; Kurucz; Bodor; Zubovics, Zoltan; Pharmazie; vol. 61; nb. 2; (2006); p. 90 - 96, View in Reaxys

(R)-5

Liu, Yu-Min; Liu, He; Zhong, Bo-Hua; Liu, Ke-Liang; Synthetic Communications; vol. 36; nb. 13; (2006); p.

1815 - 1822, View in Reaxys

(R)-6

Han, Xiang-Yu; Liu, He; Liu, Chun-He; Wu, Bo; Chen, Lan-Fu; Zhong, Bo-Hua; Liu, Ke-Liang; Bioorganic and Medicinal Chemistry Letters; vol. 15; nb. 8; (2005); p. 1979 - 1982, View in Reaxys

ent-1c

Han, Xiang-Yu; Liu, He; Liu, Chun-He; Wu, Bo; Zhong, Bo-Hua; Liu, Ke-Liang; Journal of Chemical Research; nb. 12; (2004); p. 816 - 817, View in Reaxys

7

Mitsuya, Morihiro; Kawakami, Kumiko; Ogino, Yoshio; Miura, Keiko; Mase, Toshiaki; Bioorganic and Medicinal Chemistry Letters; vol. 9; nb. 14; (1999); p. 2037 - 2038, View in Reaxys

(-)-5e

Mitsuya, Morihiro; Mase, Toshiaki; Tsuchiya, Yoshimi; Kawakami, Kumiko; Hattori, Hiromi; Kobayashi, Kensuke; Ogino, Yoshio; Fujikawa, Toru; Satoh, Akio; Kimura, Toshifumi; Noguchi, Kazuhito; Ohtake, Norikazu; Tomimoto, Koji; Bioorganic and Medicinal Chemistry; vol. 7; nb. 11; (1999); p. 2555 - 2567, View in Reaxys

Patent-Specific Data (3) References Patent; RANBAXY LABORATORIES LIMITED; WO2004/56767; (2004); (A1) English, View in Reaxys Patent; RANBAXY LABORATORIES LIMITED; WO2004/14853; (2004); (A1) English, View in Reaxys Patent; ALMIRALL PRODESFARMA S.A.; WO2003/87094; (2003); (A2) English, View in Reaxys Derivative (1) Comment (Derivative)

References

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By formation of salt/complex; with cinchonidine.

Melting point at: 223 - 225 C. Additional data: <α>D 20 -87.4 (c=1.0, MeOH); 1H NMR (J, CD3OD)

Mitsuya, Morihiro; Mase, Toshiaki; Tsuchiya, Yoshimi; Kawakami, Kumiko; Hattori, Hiromi; Kobayashi, Kensuke; Ogino, Yoshio; Fujikawa, Toru; Satoh, Akio; Kimura, Toshifumi; Noguchi, Kazuhito; Ohtake, Norikazu; Tomimoto, Koji; Bioorganic and Medicinal Chemistry; vol. 7; nb. 11; (1999); p. 2555 - 2567, View in Reaxys

Melting Point (1) 1 of 1

Melting Point [°C]

121 - 122

Patent; Bodor, Nicholas S.; US2007/123557; (2007); (A1) English, View in Reaxys Crystal Phase (1) Description (Crys- References tal Phase) Crystal growth

Wu; Mori; Buchwald; Bodor, Nicholas; Pharmazie; vol. 63; nb. 3; (2008); p. 200 - 209, View in Reaxys

Crystal Property Description (2) Colour & Other References Properties light-yellow

Patent; Theravance, Inc.; US2008/269190; (2008); (A1) English, View in Reaxys; Patent; Theravance, Inc.; US2009/69335; (2009); (A1) English, View in Reaxys; Patent; Ji, YuHua; Husfeld, Craig; Lee, Rick; Mu, YongQi; Smith, Cameron; US2009/170870; (2009); (A1) English, View in Reaxys

white

Wu; Mori; Buchwald; Bodor, Nicholas; Pharmazie; vol. 63; nb. 3; (2008); p. 200 - 209, View in Reaxys

Optical Rotatory Power (2) 1 of 2

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

1 g/100ml

Solvent (Optical Rotatory Power)

chloroform

Optical Rotatory Power [deg]

-22.5

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

25

Patent; Bodor, Nicholas S.; US2007/123557; (2007); (A1) English, View in Reaxys 2 of 2

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

3.0 g/100ml

Solvent (Optical Rotatory Power)

methanol

Optical Rotatory Power [deg]

-1.9

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

20

Mitsuya, Morihiro; Mase, Toshiaki; Tsuchiya, Yoshimi; Kawakami, Kumiko; Hattori, Hiromi; Kobayashi, Kensuke; Ogino, Yoshio; Fujikawa, Toru; Satoh, Akio; Kimura, Toshifumi; Noguchi, Kazuhito; Ohtake, Norikazu; Tomimoto, Koji; Bioorganic and Medicinal Chemistry; vol. 7; nb. 11; (1999); p. 2555 - 2567, View in Reaxys NMR Spectroscopy (4)

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1 of 4

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

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Wu; Mori; Buchwald; Bodor, Nicholas; Pharmazie; vol. 63; nb. 3; (2008); p. 200 - 209, View in Reaxys 2 of 4

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

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Wu; Mori; Buchwald; Bodor, Nicholas; Pharmazie; vol. 63; nb. 3; (2008); p. 200 - 209, View in Reaxys 3 of 4

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Original Text (NMR Spectroscopy)

1H NMR(CDCl , 300 MHz): 1.28-1.39, 1.42-1.50, 1.51-1.61, 1.64-1.73 [8H, m, (CH ) ], 3 2 4 2.93 [1H, p, CHC(OH)], 7.25-7.28, 7.32-7.35, 7.64-7.65(5H, m, Ph) ppm.

Comment (NMR Spectroscopy)

Signals given

Patent; Bodor, Nicholas S.; US2007/123557; (2007); (A1) English, View in Reaxys 4 of 4

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

500

Original Text (NMR Spectroscopy)

1H

NMR(CDCl3, 500 MHz): 1.28-1.39, 1.42-1.50, 1.51-1.61, 1.64-1.73 [8H, m, (CH2)4], 2.93 [1H, p, CHC(OH)], 7.25-7.28, 7.32-7.35, 7.64-7.65(5H, m, Ph) ppm.

Comment (NMR Spectroscopy)

Signals given

Patent; Bodor, Nicholas S.; US2007/123557; (2007); (A1) English, View in Reaxys

Reaxys ID 8690501 View in Reaxys

3/4 CAS Registry Number: 64471-43-8 Chemical Name: (S)-α-cyclopentyl-α-hydroxy-α-phenylacetic acid; (S)-α-cyclopentyl-α-hydroxyphenylacetic acid; (S)-(-)-2-hydroxy-2-cyclopentyl-2-phenylacetic acid; (2S)-2-cyclopentyl-2hydroxy-2-phenylacetic acid; (S)-(cyclopentyl)(phenyl)(hydroxyl)acetic acid; (S)-cyclopentyl phenyl glycoxilic acid; α-cyclopentylmandelic acid Linear Structure Formula: C13H16O3 Molecular Formula: C13H16O3 Molecular Weight: 220.268 Type of Substance: isocyclic InChI Key: WFLUEQCOAQCQLP-CYBMUJFWSA-N

OH O HO

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Note: Substance Label (8) Label References 5a (S)

Kumar, Naresh; Kaur, Kirandeep; Aeron, Shelly; Dharmarajan, Sankaranarayanan; Silamkoti, Arun D.V.; Mehta, Anita; Gupta, Suman; Chugh, Anita; Gupta, Jang B.; Salman, Mohammad; Palle, Venkata P.; Cliffe, Ian A.; Bioorganic and Medicinal Chemistry Letters; vol. 17; nb. 18; (2007); p. 5256 - 5260, View in Reaxys

12; (S)-(+)

Patent; Bodor, Nicholas S.; US2007/123557; (2007); (A1) English, View in Reaxys

(S)-5

Liu, Yu-Min; Liu, He; Zhong, Bo-Hua; Liu, Ke-Liang; Synthetic Communications; vol. 36; nb. 13; (2006); p.

1815 - 1822, View in Reaxys

(S)-6

Han, Xiang-Yu; Liu, He; Liu, Chun-He; Wu, Bo; Chen, Lan-Fu; Zhong, Bo-Hua; Liu, Ke-Liang; Bioorganic and Medicinal Chemistry Letters; vol. 15; nb. 8; (2005); p. 1979 - 1982, View in Reaxys

(S)-7

Liu, Yan-Qing; Liu, He; Zhong, Bo-Hua; Deng, Yu-Lin; Liu, Ke-Liang; Synthetic Communications; vol. 35; nb. 10; (2005); p. 1403 - 1412, View in Reaxys

1c

Han, Xiang-Yu; Liu, He; Liu, Chun-He; Wu, Bo; Zhong, Bo-Hua; Liu, Ke-Liang; Journal of Chemical Research; nb. 12; (2004); p. 816 - 817, View in Reaxys

(S)-8

Grover, Paul T.; Bhongle, Nandkumar N.; Wald, Stephen A.; Senanayake, Chris H.; Journal of Organic Chemistry; vol. 65; nb. 19; (2000); p. 6283 - 6287, View in Reaxys

(+)-5e

Mitsuya, Morihiro; Mase, Toshiaki; Tsuchiya, Yoshimi; Kawakami, Kumiko; Hattori, Hiromi; Kobayashi, Kensuke; Ogino, Yoshio; Fujikawa, Toru; Satoh, Akio; Kimura, Toshifumi; Noguchi, Kazuhito; Ohtake, Norikazu; Tomimoto, Koji; Bioorganic and Medicinal Chemistry; vol. 7; nb. 11; (1999); p. 2555 - 2567, View in Reaxys

Patent-Specific Data (1) References Patent; RANBAXY LABORATORIES LIMITED; WO2004/14853; (2004); (A1) English, View in Reaxys Melting Point (2) 1 of 2

Melting Point [°C]

114

Roy, Siddharth; Sharma, Anubha; Mula, Soumyaditya; Chattopadhyay, Subrata; Chemistry - A European Journal; vol. 15; nb. 7; (2009); p. 1713 - 1722, View in Reaxys 2 of 2

Melting Point [°C]

121 - 122

Wu; Mori; Buchwald; Bodor, Nicholas; Pharmazie; vol. 63; nb. 3; (2008); p. 200 - 209, View in Reaxys Crystal Property Description (2) Colour & Other References Properties colourless

Roy, Siddharth; Sharma, Anubha; Mula, Soumyaditya; Chattopadhyay, Subrata; Chemistry - A European Journal; vol. 15; nb. 7; (2009); p. 1713 - 1722, View in Reaxys

white

Patent; Bodor, Nicholas S.; US2007/123557; (2007); (A1) English, View in Reaxys

Optical Rotatory Power (2) 1 of 2

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.27 g/100ml

Solvent (Optical Rotatory Power)

methanol

Optical Rotatory Power [deg]

2.2

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

22

Roy, Siddharth; Sharma, Anubha; Mula, Soumyaditya; Chattopadhyay, Subrata; Chemistry - A European Journal; vol. 15; nb. 7; (2009); p. 1713 - 1722, View in Reaxys 2 of 2

Type (Optical Rotatory Power)

[alpha]

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Concentration (Optical Rotatory Power)

1 g/100ml

Solvent (Optical Rotatory Power)

chloroform

Optical Rotatory Power [deg]

-22.5

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

25

Wu; Mori; Buchwald; Bodor, Nicholas; Pharmazie; vol. 63; nb. 3; (2008); p. 200 - 209, View in Reaxys NMR Spectroscopy (11) 1 of 11

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

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

50

Roy, Siddharth; Sharma, Anubha; Mula, Soumyaditya; Chattopadhyay, Subrata; Chemistry - A European Journal; vol. 15; nb. 7; (2009); p. 1713 - 1722, View in Reaxys 2 of 11

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

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

200

Roy, Siddharth; Sharma, Anubha; Mula, Soumyaditya; Chattopadhyay, Subrata; Chemistry - A European Journal; vol. 15; nb. 7; (2009); p. 1713 - 1722, View in Reaxys 3 of 11

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

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Wu; Mori; Buchwald; Bodor, Nicholas; Pharmazie; vol. 63; nb. 3; (2008); p. 200 - 209, View in Reaxys 4 of 11

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Original Text (NMR Spectroscopy)

1H

Comment (NMR Spectroscopy)

Signals given

Signals [ppm]

1.28 - 1.75; 2.94; 7.24 - 7.34; 7.62 - 7.68

NMR (CDCl3, 300 MHz): 1.28-1.75 (m, 8H), 2.94 (m, 1H), 7.24-7.34 (m, 3H), 7.62-7.68 (m, 2H)

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Kind of signal

m, 8H; m, 1H; m, 3H; m, 2H

Patent; Bodor, Nicholas S.; US2007/123557; (2007); (A1) English, View in Reaxys 5 of 11

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Original Text (NMR Spectroscopy)

13C

Comment (NMR Spectroscopy)

Signals given

Signals [ppm]

25.9; 26.3; 26.4; 26.9; 47.1; 79.2; 125.8; 127.7; 128.2; 140.8; 180.9

NMR (CDCl3, 300 MHz): 25.9, 26.3, 26.4, 26.9, 47.1, 79.2, 125.8, 127.7, 128.2, 140.8, 180.9

Patent; Bodor, Nicholas S.; US2007/123557; (2007); (A1) English, View in Reaxys 6 of 11

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

1H

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Liu, Yan-Qing; Liu, He; Zhong, Bo-Hua; Deng, Yu-Lin; Liu, Ke-Liang; Synthetic Communications; vol. 35; nb. 10; (2005); p. 1403 - 1412, View in Reaxys 7 of 11

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

13C

Solvents (NMR Spectro- CDCl3 scopy) Grover, Paul T.; Bhongle, Nandkumar N.; Wald, Stephen A.; Senanayake, Chris H.; Journal of Organic Chemistry; vol. 65; nb. 19; (2000); p. 6283 - 6287, View in Reaxys; Liu, Yan-Qing; Liu, He; Zhong, Bo-Hua; Deng, YuLin; Liu, Ke-Liang; Synthetic Communications; vol. 35; nb. 10; (2005); p. 1403 - 1412, View in Reaxys 8 of 11

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

13C

Frequency (NMR Spectroscopy) [MHz]

100

Han, Xiang-Yu; Liu, He; Liu, Chun-He; Wu, Bo; Zhong, Bo-Hua; Liu, Ke-Liang; Journal of Chemical Research; nb. 12; (2004); p. 816 - 817, View in Reaxys 9 of 11

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

1H

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Han, Xiang-Yu; Liu, He; Liu, Chun-He; Wu, Bo; Zhong, Bo-Hua; Liu, Ke-Liang; Journal of Chemical Research; nb. 12; (2004); p. 816 - 817, View in Reaxys

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

1H

Solvents (NMR Spectro- CDCl3 scopy) Grover, Paul T.; Bhongle, Nandkumar N.; Wald, Stephen A.; Senanayake, Chris H.; Journal of Organic Chemistry; vol. 65; nb. 19; (2000); p. 6283 - 6287, View in Reaxys 11 of 11

Nucleus (NMR Spectroscopy)

1H

Coupling Nuclei

1H

Solvents (NMR Spectro- CDCl3 scopy) Grover, Paul T.; Bhongle, Nandkumar N.; Wald, Stephen A.; Senanayake, Chris H.; Journal of Organic Chemistry; vol. 65; nb. 19; (2000); p. 6283 - 6287, View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Mid IR (MIR); Bands

Comment (IR Spectroscopy)

film

Roy, Siddharth; Sharma, Anubha; Mula, Soumyaditya; Chattopadhyay, Subrata; Chemistry - A European Journal; vol. 15; nb. 7; (2009); p. 1713 - 1722, View in Reaxys

Reaxys ID 11994140 View in Reaxys

4/4 Chemical Name: 2-hydroxy-2-cylopentyl-2-phenyl acetic acid Linear Structure Formula: C13H16O3 Molecular Formula: C13H16O3 Molecular Weight: 220.268 InChI Key: WFLUEQCOAQCQLP-ZDUSSCGKSA-N Note:

O

HO HO

rel-configuration

Patent-Specific Data (1) References Patent; RANBAXY LABORATORIES LIMITED; WO2004/67510; (2004); (A1) English, View in Reaxys

Copyright © 2016 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.

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