Ethyl 4-Chloro-3-hydroxybutanoate - CAS 10488-69-4

Catalog:	BB001504
Product Name:	Ethyl 4-Chloro-3-hydroxybutanoate
CAS:	10488-69-4
Synonyms:	4-chloro-3-hydroxybutanoic acid ethyl ester; ethyl 4-chloro-3-hydroxybutanoate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	ethyl 4-chloro-3-hydroxybutanoate
Description:	Ethyl 4-Chloro-3-hydroxybutanoate (CAS# 10488-69-4) is a useful research chemical.
Molecular Weight:	166.60
Molecular Formula:	C6H11ClO3
Canonical SMILES:	CCOC(=O)CC(CCl)O
InChI:	InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3
InChI Key:	ZAJNMXDBJKCCAT-UHFFFAOYSA-N
Boiling Point:	263.44 °C at 760 mmHg
Density:	1.187 g/cm³
LogP:	0.53930

Publication Number	Title	Priority Date
CN-113292426-A	Method for preparing ethyl 3-hydroxy-4-chlorobutyrate	20210615
CN-112680425-A	Alcohol dehydrogenase mutant and application thereof	20210113
CN-112852620-A	Universal quasi-immobilized enzyme reactor	20201230
CN-214320156-U	Reactor for preparing (S) -4-chloro-3-hydroxybutyric acid ethyl ester	20201201
CN-112322668-A	Preparation method of R-4-chloro-3-hydroxy ethyl butyrate for synthesizing L-carnitine	20201027

PMID	Publication Date	Title	Journal
22918792	20121201	Development of a substrate-coupled biocatalytic process driven by an NADPH-dependent sorbose reductase from Candida albicans for the asymmetric reduction of ethyl 4-chloro-3-oxobutanoate	Biotechnology letters
22698447	20120801	Effect of ribose, xylose, aspartic acid, glutamine and nicotinic acid on ethyl (S)-4-chloro-3-hydroxybutanoate synthesis by recombinant Escherichia coli	Bioresource technology
22691783	20120501	Expression, purification, crystallization and preliminary X-ray analysis of carbonyl reductase S1 from Candida magnoliae	Acta crystallographica. Section F, Structural biology and crystallization communications
22790948	20120101	A novel reductase from Candida albicans for the production of ethyl (S)-4-chloro-3-hydroxybutanoate	Bioscience, biotechnology, and biochemistry
21670841	20110807	Highly stereoselective reduction of prochiral ketones by a bacterial reductase coupled with cofactor regeneration	Organic & biomolecular chemistry

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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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0396719
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.0396719
Rotatable Bond Count:	5
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4