所有图片(1)
About This Item
线性分子式:
(CH3)2CHCOCOOCH2CH3
CAS号:
分子量:
144.17
Beilstein:
1756668
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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质量水平
方案
97%
折射率
n20/D 1.410 (lit.)
沸点
62 °C/11 mmHg (lit.)
密度
0.989 g/mL at 25 °C (lit.)
官能团
ester
ketone
储存温度
2-8°C
SMILES字符串
CCOC(=O)C(=O)C(C)C
InChI
1S/C7H12O3/c1-4-10-7(9)6(8)5(2)3/h5H,4H2,1-3H3
InChI key
CKTYYUQUWFEUCO-UHFFFAOYSA-N
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一般描述
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.
应用
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.
警示用语：
Warning
危险声明
危险分类
Flam. Liq. 3
储存分类代码
3 - Flammable liquids
WGK
WGK 3
闪点(°F)
109.4 °F - closed cup
闪点(°C)
43 °C - closed cup
个人防护装备
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
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)
A convenient allylation of 1, n-dicarbonyl compounds using organoindium reagents.
Lee PH, et al.
Bull. Korean Chem. Soc., 22(12), 1380-1384 (2001)
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