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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
Beilstein:
1761275
EC 号:
211-317-0
MDL编号:
MFCD00000939
UNSPSC代码:
12352100
PubChem化学物质编号:
329761327
NACRES:
NA.22

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质量水平

100

方案

≥97.0% (GC)

表单

liquid

质量

Arxada quality

制造商/商品名称

Arxada AG

杂质

≤0.04% metyl-4-chloroacetoacetate

折射率

n20/D 1.452 (lit.)

沸点

115 °C/14 mmHg (lit.)

密度

1.218 g/mL at 25 °C (lit.)

储存温度

2-8°C

SMILES字符串

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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相关类别

警示用语：

Danger

危险分类

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

储存分类代码

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

WGK

WGK 3

闪点(°F)

206.6 °F - closed cup

闪点(°C)

97 °C - closed cup

个人防护装备

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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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
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
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
N Kizaki et al.
Applied microbiology and biotechnology, 55(5), 590-595 (2001-06-21)
The asymmetric reduction of ethyl 4-chloro-3-oxobutanoate (COBE) to ethyl (S)-4-chloro-3-hydroxybutanoate ((S)-CHBE) was investigated. Escherichia coli cells expressing both the carbonyl reductase (S1) gene from Candida magnoliae and the glucose dehydrogenase (GDH) gene from Bacillus megaterium were used as the catalyst.
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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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