218456
Ethyl 3-methyl-2-oxobutyrate
97%
Synonym(s):
Ethyl dimethylpyruvate, Ketovaline ethyl ester
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About This Item
Linear Formula:
(CH3)2CHCOCOOCH2CH3
CAS Number:
Molecular Weight:
144.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
243-587-0
Beilstein/REAXYS Number:
1756668
MDL number:
Assay:
97%
Quality Segment
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
SMILES string
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
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.
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.
signalword
Warning
hcodes
Hazard Classifications
Flam. Liq. 3
Storage Class
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
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