alpha-Cyclopentylmandelic acid Chemical Properties

Melting point:

144-150 °C

Boiling point:

110 °C (0.5 mmHg)

Density 

1.247±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

pka

3.53±0.25(Predicted)

form 

Solid

color 

White to pale brown

InChI

InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)

InChIKey

WFLUEQCOAQCQLP-UHFFFAOYSA-N

SMILES

C(C1CCCC1)(C1C=CC=CC=1)(O)C(=O)O

LogP

2.770 (est)

CAS DataBase Reference

427-49-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

C,Xi

Risk Statements 

34-41-37/38

Safety Statements 

45-36/37/39-26-39

RIDADR 

3261

WGK Germany 

3

HazardClass 

IRRITANT

PackingGroup 

III

HS Code 

29163990

MSDS

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alpha-Cyclopentylmandelic acid Usage And Synthesis

Chemical Properties

white to beige powder

Uses

intermediate for Glycopyrronium Bromide, Oxyphencyclimine HCl, Oxypyrronium Bromide

Uses

2-Cyclopentyl-2-hydroxy-2-phenylacetic Acid is an impurity of Glycopyrrolate (G657000), a novel pharmaceutical compound based on PDE IV inhibitors; used in the treatment of respiratory complaints. It is used in the synthesis of muscarinic M3 receptor antagonists.

alpha-Cyclopentylmandelic acid(427-49-6)Related Product Information

• 4-Methoxyphenylacetic acid
• Ethyl 2-(Chlorosulfonyl)acetate
• Folic acid
• 2-Hydroxyphenylacetic acid
• Citric acid
• DL-Mandelic acid
• CHLOROPHOSPHONAZO III
• α-Lipoic Acid
• Stearic acid
• 4-Hydroxyphenylacetic acid
• Alpha-Cyclopentylmandelic Acid Methyl Ester
• 2-Cyclohexylmandelic acid
• Ascoric Acid
• Benzoylformic acid
• LPHE-009
• glycopyrronium bromide
• Methyl (R)-(-)-cyclopentylmandelate
• CYCLOPENTYL PHENYL KETONE