CAS 17422-12-7

Methyl 2-methyl-3-oxopentanoate

Description:

Methyl 2-methyl-3-oxopentanoate, with the CAS number 17422-12-7, is an organic compound that belongs to the class of esters. It is characterized by its ester functional group, which is derived from the reaction of a carboxylic acid and an alcohol. This compound features a five-carbon chain with a ketone functional group at the 3-position and a methyl group at the 2-position, contributing to its unique structure and reactivity. Methyl 2-methyl-3-oxopentanoate is typically a colorless to pale yellow liquid with a pleasant odor, making it potentially useful in flavor and fragrance applications. Its solubility in organic solvents and limited solubility in water is typical for esters. The compound may also exhibit interesting chemical properties, such as reactivity in condensation reactions or as a precursor in synthetic organic chemistry. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.

Formula: C₇H₁₂O₃

InChI: InChI=1/C7H12O3/c1-4-6(8)5(2)7(9)10-3/h5H,4H2,1-3H3

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

Synonyms:

• Pentanoic acid, 2-methyl-3-oxo-, methyl ester

Pentanoic acid, 2-methyl-3-oxo-, methyl ester

CAS: 17422-12-7

Formula: C₇H₁₂O₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 144.1684

Ref: IN-DA001ZIM

Methyl 2-methyl-3-oxopentanoate

CAS: 17422-12-7

Methyl 2-methyl-3-oxopentanoate

Purity: 95%

Molecular weight: 144.17g/mol

Ref: 54-OR941458

Methyl 2-methyl-3-oxopentanoate

CAS: 17422-12-7

Purity: 95%

Molecular weight: 144.1699982

Ref: 10-F636292

2-Methyl-3-oxopentanoic Acid Methyl Ester

Controlled Product

CAS: 17422-12-7

Applications 2-Methyl-3-oxopentanoic Acid Methyl Ester is an intermediate in the synthesis of antiproliferative polyketide (+)-R-aureothin.
References Werneburg, M., et al.: Chem. Bio. Chem., 9, 2064 (2008);

Formula: C₇H₁₂O₃

Color and Shape: Neat

Molecular weight: 144.17

Ref: TR-M321075

2-Methyl-3-oxo-pentanoicacid methyl ester

CAS: 17422-12-7

The synthesis of 2-methyl-3-oxo-pentanoic acid methyl ester is accomplished by a three step process. The first step is the intramolecular condensation of 2,2-dimethylpropionic acid with acetone to form a 1:1 mixture of 3,4-dihydroxybutyl and 4,4-dihydroxybutyl esters. The second step is the selective transesterification of the 3,4-dihydroxybutyl ester with benzaldehyde. This reaction provides an optically pure 2-methyl-3-oxo-pentanoic acid methyl ester as the major product. The third step is an aldol condensation between the ketone from the second step and acetone to produce another optically pure 2,2 dimethylpropionic acid methyl ester.

Formula: C₇H₁₂O₃

Purity: Min. 95%

Molecular weight: 144.17 g/mol

Ref: 3D-SAA42212