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530182

2-氯扁桃酸

Name: 2-氯扁桃酸
Brand: ALDRICH

98%

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线性分子式:

ClC₆H₄CH(OH)CO₂H

化学文摘社编号:

10421-85-9

分子量:

186.59

NACRES:

NA.22

PubChem Substance ID:

24877735

UNSPSC Code:

12352100

EC Number:

233-900-9

MDL number:

MFCD00084962

Assay:

98%

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属性

Quality Level

100

assay

98%

mp

90-93 °C (lit.)

functional group

carboxylic acid, chloro, hydroxyl

SMILES string

OC(C(O)=O)c1ccccc1Cl

InChI

1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)

InChI key

RWOLDZZTBNYTMS-UHFFFAOYSA-N

说明

General description

2-Chloromandelic acid (2-ClMA) is a mandelic acid derivative. A report based on its solid state-NMR, X-ray powder diffraction (XPRD) and Fourier transform infrared spectroscopy (FTIR) data reveals that in solid state 2-ClMA exists as a racemic compound. The study also suggests that the crystals of racemic 2-ClMA belongs the monoclinic space group P21/c. The efficiency of (R)-(+)-N-benzyl-1-phenylethylamine in resolving racemate 2-ClMA has been investigated.

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Resolution of 2-chloromandelic acid with (R)-(+)-N-benzyl-1-phenylethylamine: chiral discrimination mechanism.

Yangfeng Peng et al.

Chirality, 24(5), 349-355 (2012-04-18)

During the resolution of 2-chloromandelic acid with (R)-(+)-N-benzyl-1-phenylethylamine, the crystals of the less soluble salt were grown, and their structure were determined and presented. The chiral discrimination mechanism was investigated by examining the weak intermolecular interactions (such as hydrogen bond

Identification and characterization of solid-state nature of 2-chloromandelic acid.

Quan He et al.

Journal of pharmaceutical sciences, 98(5), 1835-1844 (2008-10-07)

The racemate and enantiomers of 2-chloromandelic acid were characterized by SS-NMR, XRPD, and FTIR. The binary melting point phase diagram was constructed by DSC (differential scanning calorimetry). The solid-state nature of 2-chloromandelic acid was identified to be a racemic compound.

Experiment and simulation on kinetic resolution of (R,S)-2-chloromandelic acid by enzymatic transesterification.

Xin Yuan et al.

Biotechnology progress, 35(4), e2815-e2815 (2019-04-10)

Optically pure 2-chloromandelic acid (ClMA) is a very important chiral drug intermediate for synthesis of (S)-clopidogrel, belonging to the platelet aggregation inhibitor. Enantioselective resolution of (R,S)-2-chloromandelic acid was carried out in organic solvent through irreversible transesterification catalyzed by lipase AK

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货号	GTIN
530182-5G	04061831830217