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Merck
CN

690295

4-氯乙酰乙酸乙酯

Arxada quality, ≥97.0% (GC)

别名:

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

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关于此项目

线性分子式:
ClCH2COCH2CO2C2H5
化学文摘社编号:
638-07-3
分子量:
164.59
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
329761327
EC Number:
211-317-0
Beilstein/REAXYS Number:
1761275
MDL number:
MFCD00000939
Assay:
≥97.0% (GC)
Form:
liquid

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InChI

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

InChI key

OHLRLMWUFVDREV-UHFFFAOYSA-N

SMILES string

CCOC(=O)CC(=O)CCl

assay

≥97.0% (GC)

form

liquid

quality

Arxada quality

manufacturer/tradename

Arxada AG

impurities

≤0.04% metyl-4-chloroacetoacetate

Quality Level

100

refractive index

n20/D 1.452 (lit.)

bp

115 °C/14 mmHg (lit.)

density

1.218 g/mL at 25 °C (lit.)

storage temp.

2-8°C

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相关类别

signalword

Danger

Hazard Classifications

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

存储类别

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

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
BCBN7148V
BCBJ3283V
BCBF0500V
BCBN6337V
1410459

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Y Yasohara et al.
Bioscience, biotechnology, and biochemistry, 64(7), 1430-1436 (2000-08-17)
An NADPH-dependent carbonyl reductase (S1) isolated from Candida magnoliae catalyzed the reduction of ethyl 4-chloro-3-oxobutanoate (COBE) to ethyl (S)-4-chloro-3-hydroxybutanoate (CHBE), with a 100% enantiomeric excess, which is a useful chiral building block for the synthesis of pharmaceuticals. The gene encoding
Hirokazu Nanba et al.
Bioscience, biotechnology, and biochemistry, 67(10), 2145-2153 (2003-10-31)
Thiobacillus sp. strain KNK65MA, which produced an NAD-dependent formate dehydrogenase (FDH) highly resistant to alpha-haloketones, was newly isolated, i.e., the enzyme showed no loss of activity after a 5-h incubation with alpha-haloketones, such as ethyl 4-chloro-3-oxobutanoate. The enzyme was also
Hiroaki Yamamoto et al.
Bioscience, biotechnology, and biochemistry, 68(3), 638-649 (2004-04-02)
To compare NADH-regeneration systems for the synthesis of (S)-4-chloro-3-hydroxybutanoate (ECHB), a novel NADH-dependent carbonyl reductase (KaCR1), which reduced ethyl 4-chloroacetoacetate (ECAA) to form (S)-ECHB, was screened and purified from Kluyveromyces aestuarii and a gene encoding KaCR1 was cloned. Glucose dehydrogenase
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
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
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Knoevenagel Condensation Reaction

Knoevenagel Condensation is an organic reaction named after Emil Knoevenagel. It is a classic C-C bond formation reaction and a modification of the Aldol Condensation.

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