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Merck

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:
分子量:
164.59
Beilstein:
1761275
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

品質等級

化驗

95%

形狀

liquid

折射率

n20/D 1.452 (lit.)

bp

115 °C/14 mmHg (lit.)

密度

1.218 g/mL at 25 °C (lit.)

官能基

chloro
ester
ketone

SMILES 字串

CCOC(=O)CC(=O)CCl

InChI

1S/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3

InChI 密鑰

OHLRLMWUFVDREV-UHFFFAOYSA-N

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應用

4-氯乙酰乙酸乙酯用于合成磷叶立德

訊號詞

Danger

危險分類

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B

儲存類別代碼

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

水污染物質分類(WGK)

WGK 3

閃點(°F)

206.6 °F - closed cup

閃點(°C)

97 °C - closed cup

個人防護裝備

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter


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分析证书(COA)

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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
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.
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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