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Merck
CN

218456

3-甲基-2-氧代丁酰乙酯

97%

别名:

3-甲基-2-氧代丁酸乙酯, 3-甲基-2-酮丁酸乙酯

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关于此项目

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:
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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.

pictograms

Flame

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
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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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