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180769

Ethyl 4-chloroacetoacetate

Name: Ethyl 4-chloroacetoacetate
Brand: ALDRICH

95%

Synonym(s):

4-Chloro acetoethylacetate, Ethyl 4-chloro-3-oxobutanoate, Ethyl chloroacetoacetate

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About This Item

Linear Formula:

ClCH₂COCH₂CO₂C₂H₅

CAS Number:

638-07-3

Molecular Weight:

164.59

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24850895

EC Number:

211-317-0

Beilstein/REAXYS Number:

1761275

MDL number:

MFCD00000939

Assay:

95%

Form:

liquid

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Properties

Quality Level

100

assay

95%

form

liquid

refractive index

n20/D 1.452 (lit.)

bp

115 °C/14 mmHg (lit.)

density

1.218 g/mL at 25 °C (lit.)

functional group

chloro, ester, ketone

SMILES string

CCOC(=O)CC(=O)CCl

InChI

1S/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3

InChI key

OHLRLMWUFVDREV-UHFFFAOYSA-N

Description

Application

Ethyl 4-chloroacetoacetate was used in the synthesis of phosphorus ylides.

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pictograms

GHS06,GHS05,GHS09

signalword

Danger

hcodes

H301 + H311,H314,H411

pcodes

P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P361 + P364

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

206.6 °F - closed cup

flash_point_c

97 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Stereoselective reduction of ethyl 4-chloro-3-oxobutanoate by Escherichia coli transformant cells coexpressing the aldehyde reductase and glucose dehydrogenase genes.

M Kataoka et al.

Applied microbiology and biotechnology, 51(4), 486-490 (1999-05-26)

The asymmetric reduction of ethyl 4-chloro-3-oxobutanoate (COBE) to ethyl (R)-4-chloro-3-hydroxybutanoate [(R)-CHBE] using Escherichia coli cells, which coexpress both the aldehyde reductase gene from Sporobolomyces salmonicolor and the glucose dehydrogenase (GDH) gene from Bacillus megaterium as a catalyst was investigated. In

Highly efficient synthesis of chiral alcohols with a novel NADH-dependent reductase from Streptomyces coelicolor.

Li-Juan Wang et al.

Bioresource technology, 102(14), 7023-7028 (2011-05-17)

An NADH-dependent reductase (ScCR) from Streptomyces coelicolor was discovered by genome mining for carbonyl reductases. ScCR was overexpressed in Escherichia coli BL21, purified to homogeneity and its catalytic properties were studied. This enzyme catalyzed the asymmetric reduction of a broad

Cloning, overexpression, and mutagenesis of the Sporobolomyces salmonicolor AKU4429 gene encoding a new aldehyde reductase, which catalyzes the stereoselective reduction of ethyl 4-chloro-3-oxobutanoate to ethyl (S)-4-chloro-3-hydroxybutanoate.

K Kita et al.

Applied and environmental microbiology, 65(12), 5207-5211 (1999-12-03)

We cloned and sequenced the gene encoding an NADPH-dependent aldehyde reductase (ARII) in Sporobolomyces salmonicolor AKU4429, which reduces ethyl 4-chloro-3-oxobutanoate (4-COBE) to ethyl (S)-4-chloro-3-hydroxybutanoate. The ARII gene is 1,032 bp long, is interrupted by four introns, and encodes a 37,315-Da

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