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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
211-317-0
Beilstein/REAXYS Number:
1761275
MDL number:
产品名称
4-氯乙酰乙酸乙酯, 95%
form
liquid
InChI key
OHLRLMWUFVDREV-UHFFFAOYSA-N
InChI
1S/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3
SMILES string
CCOC(=O)CC(=O)CCl
assay
95%
refractive index
n20/D 1.452 (lit.)
bp
115 °C/14 mmHg (lit.)
density
1.218 g/mL at 25 °C (lit.)
functional group
chloro
ester
ketone
Quality Level
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Application
4-氯乙酰乙酸乙酯用于合成磷叶立德。
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B
存储类别
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
206.6 °F - closed cup
flash_point_c
97 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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
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.
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
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
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