(R)-(-)-2-Chloromandelic Acid - CAS 52950-18-2

Catalog:	BB027997
Product Name:	(R)-(-)-2-Chloromandelic Acid
CAS:	52950-18-2
Synonyms:	(2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid; (2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid

Technical Data

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Computed Properties

IUPAC Name:	(2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid
Description:	Clopidogrel intermediate.
Molecular Weight:	186.59
Molecular Formula:	C8H7ClO3
Canonical SMILES:	C1=CC=C(C(=C1)C(C(=O)O)O)Cl
InChI:	InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
InChI Key:	RWOLDZZTBNYTMS-SSDOTTSWSA-N
Boiling Point:	350.3 °C at 760 mmHg
Density:	1.48 g/cm³
MDL:	MFCD00798429
LogP:	1.45800

Publication Number	Title	Priority Date
CN-111778199-A	Bacillus subtilis and application thereof	20200907
CN-111778199-B	Bacillus subtilis and application thereof	20200907
CN-111484986-A	Short-chain dehydrogenase and application thereof	20200424
WO-2021202796-A1	Pyrrolidine-pyrazoles as pyruvate kinase activators	20200401
CN-111116655-A	Preparation method of high-optical-purity tenofovir benzyl ester phosphonamide prodrug	20191230

PMID	Publication Date	Title	Journal
22454104	20120701	Efficient production of (R)-o-chloromandelic acid by deracemization of o-chloromandelonitrile with a new nitrilase mined from Labrenzia aggregata	Applied microbiology and biotechnology
22508329	20120501	Resolution of 2-chloromandelic acid with (R)-(+)-N-benzyl-1-phenylethylamine: chiral discrimination mechanism	Chirality
22117223	20120214	The isolation of a metastable conglomerate using a combined computational and controlled crystallization approach	Chemical communications (Cambridge, England)
18837015	20090501	Identification and characterization of solid-state nature of 2-chloromandelic acid	Journal of pharmaceutical sciences
16936066	20070401	The absorption, metabolism, and excretion of the novel neuromodulator RWJ-333369 (1,2-ethanediol, [1-2-chlorophenyl]-, 2-carbamate, [S]-) in humans	Drug metabolism and disposition: the biological fate of chemicals

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, and P501
Signal Word:	Danger

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0083718
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	186.0083718
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5