296171
Methyl 4-acetyl-5-oxohexanoate
98%
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About This Item
Linear Formula:
(CH3CO)2CHCH2CH2CO2CH3
CAS Number:
Molecular Weight:
186.21
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C9H14O4/c1-6(10)8(7(2)11)4-5-9(12)13-3/h8H,4-5H2,1-3H3
SMILES string
COC(=O)CCC(C(C)=O)C(C)=O
InChI key
XFUDNZLAPUHONL-UHFFFAOYSA-N
assay
98%
refractive index
n20/D 1.459 (lit.)
bp
182 °C/48 mmHg (lit.)
density
1.066 g/mL at 25 °C (lit.)
functional group
ester, ketone
Application
Methyl 4-acetyl-5-oxohexanoate is a β-ketoester, has been used:
- in modified Knorr condensation for the synthesis of pyrrole
- to identify the Michael addition product by using GC and GC-MS
- in preparation of dibenzyl-3,6-dimethylpyrazine-2,5-dicarboxylate
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
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C-H??? p and C= O??? p Intermolecular Interactions in Dibenzyl-3, 6-dimethylpyrazine-2, 5-dicarboxylate.
Silva JA, et al.
Journal of Chemical Crystallography, 38(4), 301-303 (2008)
Mechanism of a modified Knorr pyrrole condensation.
Rapoport H and Harbuct JW.
The Journal of Organic Chemistry, 36(6), 853-855 (1971)
Suppressed native hydrolytic activity of a lipase to reveal promiscuous Michael addition activity in water.
Svedendahl M, et al.
ChemCatChem, 1(2), 252-258 (2009)
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