180769
4-氯乙酰乙酸乙酯
95%
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:
分子量:
164.59
Beilstein:
1761275
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
质量水平
方案
95%
表单
liquid
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.)
官能团
chloro
ester
ketone
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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应用
4-氯乙酰乙酸乙酯用于合成磷叶立德。
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
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.
Hyun Joo Park et al.
Journal of microbiology and biotechnology, 20(9), 1300-1306 (2010-10-05)
Ethyl (R, S)-4-chloro-3-hydroxybutanoate (ECHB) is a useful chiral building block for the synthesis of L-carnitine and hypercholesterolemia drugs. The yeast reductase, YOL151W (GenBank locus tag), exhibits an enantioselective reduction activity, converting ethyl-4-chlorooxobutanoate (ECOB) exclusively into (R)-ECHB. YOL151W was generated in
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
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
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
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