232564
乙酰丙酮酸乙酯
97%
别名:
丙酮草酸乙酯
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关于此项目
线性分子式:
CH3COCH2COCOOC2H5
化学文摘社编号:
分子量:
158.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-447-5
Beilstein/REAXYS Number:
607062
MDL number:
产品名称
乙酰丙酮酸乙酯, 97%
InChI key
OYQVQWIASIXXRT-UHFFFAOYSA-N
InChI
1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3
SMILES string
CCOC(=O)C(=O)CC(C)=O
assay
97%
refractive index
n20/D 1.474 (lit.)
bp
101-103 °C/12 mmHg (lit.)
mp
16-18 °C (lit.)
density
1.126 g/mL at 25 °C (lit.)
functional group
ester
ketone
storage temp.
2-8°C
Quality Level
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Application
吡唑合成。
General description
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.
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves
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)
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
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
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