589098

Sigma-Aldrich

Methyl 4-oxobutanoate

90%

Linear Formula:
H3COCOCH2CH2CHO
CAS Number:
Molecular Weight:
116.12
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

90%

impurities

≤10% 4-oxobutanoic acid

refractive index

n20/D 1.424 (lit.)

bp

187-188 °C (lit.)

density

1.109 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

[H]C(=O)CCC(=O)OC

InChI

1S/C5H8O3/c1-8-5(7)3-2-4-6/h4H,2-3H2,1H3

InChI key

DLZVZNAPRCRXEG-UHFFFAOYSA-N

Application

Methyl 4-oxobutanoate may be used as a starting material to synthesize (-)-deoxoprosophylline, a piperidine alkaloid with therapeutic potential.

Packaging

1, 10 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

RIDADR

NA 1993 / PGIII

WGK Germany

WGK 3

Flash Point(F)

187.0 °F

Flash Point(C)

86.1 °C

"Concise asymmetric synthesis of (-)-deoxoprosophylline"
Liu C-R, et al.
Tetrahedron Asymmetry, 19(23), 2731-2734 (2008)

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