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Ethyl S-4-chloro-3-hydroxybutyrate

CAS No.: 86728-85-0

Chemical Name:: Ethyl S-4-chloro-3-hydroxybutyrate

Synonyms: ETHYL (S)-4-CHLORO-3-HYDROXYBUTANOATE;ETHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE;ETHYL (S)-(-)-4-CHLORO-3-HYDROXYBUTYRATE;SECHB;AST-4;PEFC-026;(S)-(?)-4-chL;(S)-Ethyl 4-chloro-3-;oro-3-hydroxybutyrate;4-chloro-3-hydroxyhexanoate

CBNumber:: CB9448087

Molecular Formula:: C6H11ClO3

Molecular Weight:: 166.6

MOL File:: 86728-85-0.mol

MSDS File:: SDS

Modify Date:: 2024/6/4 19:18:49

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Ethyl S-4-chloro-3-hydroxybutyrate Properties

alpha	-14.5 º (c=neat)
Boiling point	93-95 °C5 mm Hg(lit.)
Density	1.19 g/mL at 25 °C(lit.)
refractive index	n20/D 1.453(lit.)
Flash point	109 °C
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
pka	13.23±0.20(Predicted)
form	Liquid
color	Clear colorless to yellow
optical activity	[α]23/D 14°, neat
BRN	4657170
InChI	InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m0/s1
InChIKey	ZAJNMXDBJKCCAT-YFKPBYRVSA-N
SMILES	C(OCC)(=O)C[C@H](O)CCl
CAS DataBase Reference	86728-85-0(CAS DataBase Reference)

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS05,GHS07

Signal word

Danger

Hazard statements

H302-H318

Precautionary statements

Hazard Codes

Risk Statements

Safety Statements

RIDADR

2810

WGK Germany

HazardClass

6.1

PackingGroup

III

HS Code

29181990

NFPA 704

	0
2		0

Ethyl S-4-chloro-3-hydroxybutyrate price More Price(6)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	460524	Ethyl (S)-(−)-4-chloro-3-hydroxybutyrate 96%	86728-85-0	1G	₹2782.03	2022-06-14	Buy
Sigma-Aldrich(India)	460524	Ethyl (S)-(−)-4-chloro-3-hydroxybutyrate 96%	86728-85-0	1G	₹2782.03	2022-06-14	Buy
Sigma-Aldrich	460524	Ethyl (S)-(−)-4-chloro-3-hydroxybutyrate 96%	86728-85-0	5G	₹9428.58	2022-06-14	Buy
Sigma-Aldrich(India)	460524	Ethyl (S)-(−)-4-chloro-3-hydroxybutyrate 96%	86728-85-0	5G	₹9428.58	2022-06-14	Buy
TCI Chemicals (India)	C1717	Ethyl (S)-4-Chloro-3-hydroxybutyrate min. 95.0 %	86728-85-0	5G	₹10100	2022-05-26	Buy

Product number	Packaging	Price	Buy
460524	1G	₹2782.03	Buy
460524	1G	₹2782.03	Buy
460524	5G	₹9428.58	Buy
460524	5G	₹9428.58	Buy
C1717	5G	₹10100	Buy

Ethyl S-4-chloro-3-hydroxybutyrate Chemical Properties,Uses,Production

Chemical Properties

Colorless to light yellow liqui

Uses

Atorvastatin Intermediate

Biosynthesis

Bioreductions catalyzed by alcohol dehydrogenases (ADHs) play an essential role in synthesizing chiral alcohols. A novel ADH, SmADH31, obtained from the Stenotrophomonas maltophilia genome, which can tolerate extremely high concentrations (6 M) of both substrate and product. The coexpression of SmADH31 and glucose dehydrogenase from Bacillus subtilis in Escherichia coli meant that as much as 660 g L–1 (4.0 M) ethyl 4-chloroacetoacetate was completely converted into ethyl (S)-4-chloro-3-hydroxybutyrate [(S)-CHBE] in a monophasic aqueous system with a >99.9% ee value and a high space-time yield (2664 g L–1 d–1). In the 100 ml-scale monophasic aqueous system (in triplicate), 66.0 g COBE (single batch charge) can be completely converted to (S)-CHBE (ee >99.9%) in only 6 h with 2 g of the SmADH31/GDH co-expressing cells. After extraction and evaporation, 61.6 g (S)-CHBE was isolated with 92% yield[1].

General Description

Ethyl (S)-4-chloro-3-hydroxybutanoate is a chiral intermediate generally used to prepare atorvastatin, a cholesterol-lowering drug.

References

[1] Zeyu Yang. “Efficient Asymmetric Synthesis of Ethyl (S)-4-Chloro-3-hydroxybutyrate Using Alcohol Dehydrogenase SmADH31 with High Tolerance of Substrate and Product in a Monophasic Aqueous System.” Organic Process Research & Development 24 6 (2020): 1068–1076.

Ethyl S-4-chloro-3-hydroxybutyrate Preparation Products And Raw materials

Raw materials

Preparation Products

Ethyl S-4-chloro-3-hydroxybutyrate Suppliers

Global( 448)Suppliers

Supplier	Tel	Country	ProdList	Advantage	Inquiry
BNR LABORATORIES	+91-9490673489 +91-9490673489	Telangana, India	25	58	Inquiry
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TEADUS PHARMA PRIVATE LIMITED	+91-9740077663 +91-9740077663	Telangana, India	242	58	Inquiry
Reax Chemicals	08048372701Ext 416	Hyderabad, India	4223	58	Inquiry
Anvitha Life Care Private Limited		Andhra Pradesh, India	10	58	Inquiry
Aditya Molecules	08048601463	Mumbai, India	95	58	Inquiry
Clearsynth Labs	91-22-45045900	Maharashtra, India	3889	58	Inquiry
Carbontree (T)		Maharashtra, India	56	58	Inquiry
Pharma Affiliates	172-5066494	Haryana, India	6761	58	Inquiry
A.J Chemicals	91-9810153283	New Delhi, India	6124	58	Inquiry

Supplier	Advantage
BNR LABORATORIES	58
REAX CHEMICALS	58
TEADUS PHARMA PRIVATE LIMITED	58
Reax Chemicals	58
Anvitha Life Care Private Limited	58
Aditya Molecules	58
Clearsynth Labs	58
Carbontree (T)	58
Pharma Affiliates	58
A.J Chemicals	58

Ethyl S-4-chloro-3-hydroxybutyrate Spectrum

Ethyl S-4-chloro-3-hydroxybutyrate(86728-85-0)IR

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Ethyl (S)-(-)-4-chloro-3-hydroxybutyrate 96% Butanoic acid,4-chloro-3-hydroxy-, ethyl ester, (3S)- (S) - (-) - chlorine - 4-3 - hydroxy ethyl butyrate Ethyl (3S)-(-)-4-chloro-3-hydroxybutyrate (S)-(-)-ETHYL-4-CHLORO 3-HYDROXYBUTANOATE (S)-ETHYL 4-CHLORO-3-HYDROXYBUTYRATE (S)-(-)-4-CHLORO-3-HYDROXYBUTYRIC ACID ETHYL ESTER (S)-4-CHLORO-3-HYDROXYBUTYRIC ACID ETHYL ESTER (S)-4-CHLORO-3-HYDROXY-N-BUTYRIC ACID ETHYL ESTER Ehyl-4-(-)chloro-3-hydroxybutyrate Ethyl (S)-(-)-4-chloro-3-hydroxybutyrate, 96% (97% EE/GLC) (2R,4R)-2,4-PENTANEDIOL EE 99+% Ethyl(S)-(-)-4-chloro-3-Hydrox ETHYL(S)-4-CHLORO-3-HYDROXY-BUTYRATE/ATS-4 ETHYL (S)-(-)-4-CHLORO-3-HYDROXYBUTYRATE , EE 98% methyl 3S-4-chloro-3-hydroxybutanoate Ethyl (S)-(-)-4-chloro-3-hydroxybutyrate, 98%, ee 98% Ethyl (3S)-4-chloro-3-hydroxybutanoate Ethyl (S)-(-)-4-chloro-3-hydroxybutyrate,97% (S)-(-)-ethyl-4-chloro 3-hydroxybutanoate(ATS-4) Ethyl (S)-(-)-4-chloro-3-hydroxybutyrate, 96%, ee 98% Ethyl S-4-chloro-3-hydroxybutyate 4-chloro-3-hydroxyhexanoate ethyl()-4-chloro-3-hydroxybutanoate Ethyl(S)-4-chloro-3-hydroxybutylate S-4-Chloro-3-hydroxybutyrate ETHYL (S)-(-)-4-CHLORO-3-HYDROXYBUTANOATE (-)-ETHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE BUTANOIC ACID, 4-CHLORO-3-HYDROXY-, ETHYL ESTER, (S) SECHB Ethyl (S)-(-)-4-chloro-3-hydroxybutyrate, 97% 1GR )-4-chloro-3-hydroxybutyrate (S)-Ethyl 4-chloro-3- AST-4 Oxiracetam (S(-)-4-chloro-3-hydroxybutyric acid ethyl ester) (S)-4-Chloro-3-Hydroxy-Butyric Acid Enthylester PEFC-026 Ethyl (S)-4-Chloro-3-hydroxybutyrate > (S)-(?)-4-chL oro-3-hydroxybutyrate (-)-ETHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE ETHYL (S)-4-CHLORO-3-HYDROXYBUTANOATE ETHYL (S)-(-)-4-CHLORO-3-HYDROXYBUTYRATE ETHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE Butanoic acid, 4-chloro-3-hydroxy-, ethyl ester, (3S)- (9CI, ACI) 4-chloro-3-hydroxy-Butanoic acid ethyl ester (3S)- (9CI ACI) (S)-4-Chloro-3-hydroxybutyric Acid Ethyl Ester(ATS-4) (3S)-4-Chloro-3-hydroxy-butanoic acid ethyl ester Ethyl-(S)-4 chloro-3-hydroxy-Butyrarte Ethyl-S-(-)chloro-3-hydroxybutyrate S (-) -4-chloro-3-hydroxybutyrate ethyl ester 86728-85-0 96728-85-0 C6H11ClO3 Organic Building Blocks Esters Asymmetric Synthesis Chiral Building Blocks