180769
4-氯乙酰乙酸乙酯
95%
别名:
4-Chloro acetoethylacetate, Ethyl 4-chloro-3-oxobutanoate, Ethyl chloroacetoacetate
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
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
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
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
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