589098
Methyl 4-oxobutanoate
90%
Synonym(s):
β-(Methoxycarbonyl)propionaldehyde, β-Carbomethoxypropionaldehyde, 3-(Methoxycarbonyl)propanal, 3-(Methoxycarbonyl)propionaldehyde, 3-Carbomethoxypropionaldehyde, 3-Formylpropionic acid methyl ester, 4-Oxobutanoic acid methyl ester
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About This Item
Linear Formula:
H3COCOCH2CH2CHO
CAS Number:
Molecular Weight:
116.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
90%
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.)
functional group
aldehyde, ester
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.
Methyl 4-oxobutanoate used in asymmetric synthesis:
- to produce 1-hydroxymethylpyrrolizidine alkaloids
- of (+)-isoretronecanol, (-)-isoretronecanol, (+)-laburnine, and (-)-trachelanthamidine
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
187.0 °F
flash_point_c
86.1 °C
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"Concise asymmetric synthesis of (-)-deoxoprosophylline"
Liu C-R, et al.
Tetrahedron Asymmetry, 19(23), 2731-2734 (2008)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 589098-1G | 04061832634289 |
| 589098-10G | 04061831821864 |