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460524

Ethyl (S)-(−)-4-chloro-3-hydroxybutyrate

Name: Ethyl (<I>S</I>)-(−)-4-chloro-3-hydroxybutyrate
Brand: ALDRICH

96%

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About This Item

Linear Formula:

ClCH₂CH(OH)CH₂CO₂C₂H₅

CAS Number:

86728-85-0

Molecular Weight:

166.60

UNSPSC Code:

12352101

NACRES:

NA.22

PubChem Substance ID:

24869707

MDL number:

MFCD00211241

Beilstein/REAXYS Number:

4657170

Assay:

96%

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Properties

Quality Segment

100

assay

96%

optical activity

[α]23/D −14°, neat

optical purity

ee: 97% (GLC)

refractive index

n20/D 1.453 (lit.)

bp

93-95 °C/5 mmHg (lit.)

density

1.19 g/mL at 25 °C (lit.)

functional group

chloro, ester, hydroxyl

SMILES string

CCOC(=O)C[C@H](O)CCl

InChI

1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m0/s1

InChI key

ZAJNMXDBJKCCAT-YFKPBYRVSA-N

Description

General description

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

Application

Ethyl (S)-(−)-4-chloro-3-hydroxybutyrate can be used as a starting material in the synthesis of 4-amino-3-hydroxybutyric acid, a compound of pharmacological importance.

pictograms

GHS05,GHS07

signalword

Danger

hcodes

H302,H318

pcodes

P280 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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