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180769

Sigma-Aldrich

Ethyl 4-chloroacetoacetate

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
Beilstein:
1761275
EC Number:
211-317-0
MDL number:
MFCD00000939
UNSPSC Code:
12352100
PubChem Substance ID:
24850895
NACRES:
NA.22

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.)

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

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Application

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

Signal Word

Danger

Hazard Statements

H301 + H311,H314,H411

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Jer-Yiing Houng et al.
Biotechnology letters, 25(1), 17-21 (2003-07-29)
Amberlite XAD 2 resin enhanced the asymmetric reduction of ethyl 4-chloroacetoacetate (ECA) to S-4-chloro-3-hydroxybutyric acid ethyl ester as catalyzed by Saccharomyces cerevisiae. The absorbed ECA was released slowly to the solution during the reaction so that the substrate inhibition and
I Pieper et al.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 36(1), 157-170 (2008-12-02)
Computationally predicting the metabolic fates of drugs is a very complex task which is owed not only to the huge and diverse biochemical network in the living cell, but also to the majority of in vivo transformations that occur through
Qi Ye et al.
Biotechnology letters, 31(4), 537-542 (2009-01-07)
An NADPH-dependent carbonyl reductase (PsCR) gene from Pichia stipitis was cloned. It contains an open reading frame of 849 bp encoding 283 amino acids whose sequence had less than 60% identity to known reductases that produce ethyl (S)-4-chloro-3-hydroxybutanoates (S-CHBE). When
Qi Ye et al.
Applied microbiology and biotechnology, 87(2), 517-525 (2010-03-24)
To develop an economical industrial medium, untreated cane molasses (UCM) was tested as a carbon source for fermentation culturing of Escherichia coli. To test the industrial application of this medium, we chose a strain co-expressing a carbonyl reductase (PsCR) and
Tarjan Kaliaperumal et al.
Journal of industrial microbiology & biotechnology, 37(2), 159-165 (2009-11-10)
Asymmetric reduction of ethyl-4-chloro-3-oxobutanoate to (S)-ethyl-4-chloro-3-hydroxybutanoate in aqueous medium by resting cells of Candida parapsilosis ATCC 7330 was optimized. The influence of culture parameters (inoculum size, inoculum age and biocatalyst harvest time) and reaction parameters (co-substrate, resting cell, pH and
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