CAS 77514-26-2

Methyl 3,3-dimethyl-5-oxopentanoate

Description:

Methyl 3,3-dimethyl-5-oxopentanoate, with the CAS number 77514-26-2, is an organic compound that belongs to the class of esters. It features a pentanoate backbone, characterized by a five-carbon chain with a ketone functional group at the 5-position and two methyl groups at the 3-position. This structure contributes to its unique chemical properties, including its reactivity and solubility. The presence of the ester functional group typically imparts a degree of polarity, making it soluble in organic solvents while being less soluble in water. Methyl 3,3-dimethyl-5-oxopentanoate may be used in various synthetic applications, particularly in organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals. Its reactivity can be attributed to the carbonyl group, which can participate in nucleophilic addition reactions. As with many organic compounds, safety precautions should be observed when handling this substance, including the use of appropriate personal protective equipment to mitigate any potential health risks.

Formula: C₈H₁₄O₃

InChI: InChI=1S/C8H14O3/c1-8(2,4-5-9)6-7(10)11-3/h5H,4,6H2,1-3H3

InChI key: InChIKey=POSHLXMCOVQXJC-UHFFFAOYSA-N

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

Synonyms:

• Methyl 4-formyl-3,3-dimethylbutyrate
• Methyl 3,3-dimethyl-5-oxopentanoate
• Pentanoic acid, 3,3-dimethyl-5-oxo-, methyl ester
• 3,3-Dimethyl-5-oxopentanoic acid methyl ester