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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
Y Saratani et al.
Bioscience, biotechnology, and biochemistry, 65(7), 1676-1679 (2001-08-23)
The enantioselectivity of ECAA to ECHB by eight fungi of four genus was evaluated. All strains showed (S)-selectivity, and Cylindrocarpon sclerotigenum IFO 31855 gave the highest yield and good optical purity (e.e.; >99%). Cell-free extract and acetone-dried cells of C.
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
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
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
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