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线性分子式:
(CH3)2CHCOCOOCH2CH3
化学文摘社编号:
分子量:
144.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
243-587-0
Beilstein/REAXYS Number:
1756668
MDL number:
产品名称
3-甲基-2-氧代丁酰乙酯, 97%
InChI key
CKTYYUQUWFEUCO-UHFFFAOYSA-N
InChI
1S/C7H12O3/c1-4-10-7(9)6(8)5(2)3/h5H,4H2,1-3H3
SMILES string
CCOC(=O)C(=O)C(C)C
assay
97%
refractive index
n20/D 1.410 (lit.)
bp
62 °C/11 mmHg (lit.)
density
0.989 g/mL at 25 °C (lit.)
functional group
ester
ketone
storage temp.
2-8°C
Quality Level
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Application
Ethyl 3-methyl-2-oxobutyrate was used in the synthesis of (2SR,4SR)-5(S)-(N-Boc)-amino-6-cyclohexyl-4-hydoxy-2-isopropyl hexanoic acid.
General description
Ethyl 3-methyl-2-oxobutyrate reacts with a variety of allyl halides in the presence of indium to afford hydroxy unsaturated carbonyl compounds. Conformational behaviour of ethyl 3-methyl-2-oxobutyrate was investigated using solution FTIR in combination with ab initio calculations.
signalword
Warning
hcodes
Hazard Classifications
Flam. Liq. 3
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
109.4 °F - closed cup
flash_point_c
43 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
A convenient allylation of 1, n-dicarbonyl compounds using organoindium reagents.
Lee PH, et al.
Bull. Korean Chem. Soc., 22(12), 1380-1384 (2001)
The synthesis of (2S, 4S, 5S)-5-(N-BOC)-amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid lactone, an hydroxyethylene dipeptide isostere precusor.
Chakravarty PK, et al.
Tetrahedron Letters, 30(4), 415-418 (1989)
Conformational isomerism of a-ketoesters. A FTIR and ab initio study.
Ferri D, et al.
J. Chem. Soc. Perkin Trans. II, 2, 221-227 (2000)
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