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
Li-Juan Wang et al.
Bioresource technology, 102(14), 7023-7028 (2011-05-17)
An NADH-dependent reductase (ScCR) from Streptomyces coelicolor was discovered by genome mining for carbonyl reductases. ScCR was overexpressed in Escherichia coli BL21, purified to homogeneity and its catalytic properties were studied. This enzyme catalyzed the asymmetric reduction of a broad
M Kataoka et al.
Applied microbiology and biotechnology, 51(4), 486-490 (1999-05-26)
The asymmetric reduction of ethyl 4-chloro-3-oxobutanoate (COBE) to ethyl (R)-4-chloro-3-hydroxybutanoate [(R)-CHBE] using Escherichia coli cells, which coexpress both the aldehyde reductase gene from Sporobolomyces salmonicolor and the glucose dehydrogenase (GDH) gene from Bacillus megaterium as a catalyst was investigated. In
Zhinan Xu et al.
Applied microbiology and biotechnology, 70(1), 40-46 (2005-09-22)
Escherichia coli M15 (pQE30-car0210) was constructed to express carbonyl reductase (CAR) by cloning the car gene from Candida magnoliae and inserting it into pQE30. By cultivating E. coli M15 (pQE30-car0210) and M15 (pQE30-gdh0310), 8.2-fold and 12.3-fold enhancements in specific enzymatic
Hou Cao et al.
Bioresource technology, 102(2), 1733-1739 (2010-10-12)
A novel NADH-dependent dehydrogenases/reductases (SDRs) superfamily reductase (PsCRII) was isolated from Pichia stipitis. It produced ethyl (S)-4-chloro-3-hydroxybutanoate [(S)-CHBE] in greater than 99% enantiomeric excess. This enzyme was purified to homogeneity by ammonium sulfate precipitation followed by Q-Sepharose chromatography. Compared to
H Yamamoto et al.
Applied microbiology and biotechnology, 67(1), 33-39 (2004-09-01)
Formate dehydrogenases (FDH) are useful for the regeneration of NADH, which is required for asymmetric reduction by several dehydrogenases and reductases. FDHs have relatively low activity and are labile, especially to alpha-haloketones, thus FDH cannot be applied to the industrial
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