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:
Assay:
97%
Quality Level
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
SMILES string
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
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.
Application
吡唑合成。
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
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
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
全球贸易项目编号
| 货号 | GTIN |
|---|---|
| 232564-5G | 04061838783561 |
| 232564-25G | 04061837376412 |