All Photos(1)
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
Linear Formula:
H3COCOCH2CH2CHO
CAS Number:
Molecular Weight:
116.12
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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
Related Categories
Application
Methyl 4-oxobutanoate may be used as a starting material to synthesize (-)-deoxoprosophylline, a piperidine alkaloid with therapeutic potential.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
WGK
WGK 3
Flash Point(F)
187.0 °F
Flash Point(C)
86.1 °C
Certificates of Analysis (COA)
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Find documentation for the products that you have recently purchased in the Document Library.
"Concise asymmetric synthesis of (-)-deoxoprosophylline"
Liu C-R, et al.
Tetrahedron Asymmetry, 19(23), 2731-2734 (2008)
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