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180769

Sigma-Aldrich

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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About This Item

线性分子式:
ClCH2COCH2CO2C2H5
CAS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:
24850895
NACRES:
NA.22

质量水平

100

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

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
BCCM8449
BCCJ8883
BCCJ0682
BCCD3226
BCCC8030

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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
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
K Kita et al.
Applied and environmental microbiology, 65(12), 5207-5211 (1999-12-03)
We cloned and sequenced the gene encoding an NADPH-dependent aldehyde reductase (ARII) in Sporobolomyces salmonicolor AKU4429, which reduces ethyl 4-chloro-3-oxobutanoate (4-COBE) to ethyl (S)-4-chloro-3-hydroxybutanoate. The ARII gene is 1,032 bp long, is interrupted by four introns, and encodes a 37,315-Da
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
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