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Merck
CN

232564

Sigma-Aldrich

乙酰丙酮酸乙酯

97%

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别名:
丙酮草酸乙酯
线性分子式:
CH3COCH2COCOOC2H5
CAS号:
分子量:
158.15
Beilstein:
607062
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

质量水平

检测方案

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.)

储存温度

2-8°C

SMILES字符串

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 key

OYQVQWIASIXXRT-UHFFFAOYSA-N

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一般描述

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.

应用

吡唑合成。

WGK

WGK 3

闪点(°F)

closed cup

闪点(°C)

closed cup

个人防护装备

Eyeshields, Gloves


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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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