CAS 76835-64-8

Methyl 3-oxododecanoate

Description:

Methyl 3-oxododecanoate, with the CAS number 76835-64-8, is an ester derived from dodecanoic acid (also known as lauric acid) and methyl acetoacetate. This compound features a carbonyl group adjacent to a methyl ester, which contributes to its reactivity and potential applications in organic synthesis. It typically appears as a colorless to pale yellow liquid with a characteristic odor. The presence of the ketone functional group imparts unique chemical properties, making it useful in various chemical reactions, including condensation and acylation processes. Methyl 3-oxododecanoate is soluble in organic solvents and may exhibit moderate solubility in water due to its relatively long hydrophobic carbon chain. Its applications can range from flavoring agents to intermediates in the synthesis of pharmaceuticals and agrochemicals. As with many organic compounds, handling should be done with care, observing appropriate safety protocols to mitigate any potential health hazards.

Formula: C₁₃H₂₄O₃

InChI: InChI=1S/C13H24O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h3-11H2,1-2H3

InChI key: InChIKey=FHTQHJAYSZFNSI-UHFFFAOYSA-N

SMILES: C(C(CC(OC)=O)=O)CCCCCCCC

Synonyms:

• Methyl 3-oxododecanoate
• Methyl β-oxododecanoate
• Methyl dodecanon-3-oate
• Dodecanoic acid, 3-oxo-, methyl ester

Dodecanoic acid,3-oxo-, methyl ester

CAS: 76835-64-8

Formula: C₁₃H₂₄O₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 228.3279

Ref: IN-DA008P3D

Methyl 3-oxododecanoate

CAS: 76835-64-8

Methyl 3-oxododecanoate

Purity: 98%

Molecular weight: 228.33g/mol

Ref: 54-OR1060663

Methyl 3-Oxododecanoate

Controlled Product

CAS: 76835-64-8

Applications Methyl 3-Oxododecanoate is a useful synthetic intermediate. It is used in the tethered Biginelli reaction for enantioselective synthesis of batzelladine alkaloid.
References Franklin, A., et al.: J. Org. Chem., 64, 1512 (1999)

Formula: C₁₃H₂₄O₃

Color and Shape: Neat

Molecular weight: 228.33

Ref: TR-M324720