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Merck
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重要文件

232564

Sigma-Aldrich

乙酰丙酮酸乙酯

97%

同義詞:

丙酮草酸乙酯

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About This Item

線性公式:
CH3COCH2COCOOC2H5
CAS號碼:
分子量::
158.15
Beilstein:
607062
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22
化驗:
97%

品質等級

化驗

97%

折射率

n20/D 1.474 (lit.)

bp

101-103 °C/12 mmHg (lit.)

mp

16-18 °C (lit.)

密度

1.126 g/mL at 25 °C (lit.)

官能基

ester
ketone

儲存溫度

2-8°C

SMILES 字串

CCOC(=O)C(=O)CC(C)=O

InChI

1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3

InChI 密鑰

OYQVQWIASIXXRT-UHFFFAOYSA-N

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一般說明

Assymmmetric hydrogenation of ethyl 2,4-dioxovalerate in the presence of chiral rhodium or ruthenium catalysts yields 2-hydroxy-4-methyltetrahydrofuran-2-one. Ethyl 2,4-dioxovalerate is a potential anti-fungal agent.

應用

吡唑合成。

儲存類別代碼

10 - Combustible liquids

水污染物質分類(WGK)

WGK 3

閃點(°F)

235.4 °F - closed cup

閃點(°C)

113 °C - closed cup

個人防護裝備

Eyeshields, Gloves


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分析證明 (COA)

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Acylpyruvates as potential antifungal agents.
H A Burch
Journal of medicinal chemistry, 15(4), 429-431 (1972-04-01)
New one pot synthesis of a chiral a-hydroxy-?-butyrolactone via sequential asymmetric hydrogenation of an a, ?-diketoester.
Blandin V, et al.
Tetrahedron Asymmetry, 9(16), 2765-2768 (1998)
Stephen C McKeown et al.
Bioorganic & medicinal chemistry letters, 16(18), 4767-4771 (2006-07-18)
The discovery, synthesis and structure-activity relationship (SAR) of a novel series of EP1 receptor antagonists is described. Pyrazole acid 4, identified from a chemical array, had desirable physicochemical properties, an excellent in vitro microsomal inhibition and cytochrome P450 (CYP450) profile
John M Fevig et al.
Bioorganic & medicinal chemistry letters, 16(14), 3755-3760 (2006-05-10)
Previously, potent factor Xa inhibitors were described based on a pyrazole core. Modifications of the pyrazole core have provided additional novel, highly potent factor Xa inhibitors. This manuscript will describe the synthesis and biological activity of factor Xa inhibitors containing

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