CAS 39149-65-0

tert.-Butyl 2-methyl-3-oxobutanoate

Description:

Tert-Butyl 2-methyl-3-oxobutanoate, with the CAS number 39149-65-0, is an organic compound that belongs to the class of esters. It is characterized by its structure, which includes a tert-butyl group, a ketone functional group, and an ester linkage. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, making it potentially useful in flavoring and fragrance applications. It is soluble in organic solvents, such as ethanol and ether, but has limited solubility in water due to its hydrophobic tert-butyl group. The presence of the ketone functional group contributes to its reactivity, allowing it to participate in various chemical reactions, including condensation and acylation. Additionally, tert-butyl 2-methyl-3-oxobutanoate can serve as an intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₉H₁₆O₃

Synonyms:

• 2-Methyl-3-oxo-butanoic acid 1,1-dimethylethyl ester
• 2-Methylacetoacetic acid tert.-butyl ester

Butanoic acid, 2-​methyl-​3-​oxo-​, 1,​1-​dimethylethyl ester

CAS: 39149-65-0

Formula: C₉H₁₆O₃

Purity: 97%

Color and Shape: Liquid

Molecular weight: 172.2215

Ref: IN-DA007663

tert-Butyl 2-methyl-3-oxobutanoate

CAS: 39149-65-0

tert-Butyl 2-methyl-3-oxobutanoate

Purity: 95%

Molecular weight: 172.22g/mol

Ref: 54-OR1071043

tert-Butyl 2-Methyl-3-oxobutanoate-D3

Controlled Product

CAS: 39149-65-0

Formula: C₉D₃H₁₃O₃

Color and Shape: Neat

Molecular weight: 175.24

Ref: TR-B693367

tert-Butyl 2-methyl-3-oxobutanoate

CAS: 39149-65-0

tert-Butyl 2-methyl-3-oxobutanoate is a metabolite of tert-butyl acetate, which is an organic compound that has been used for the production of synthetic rubber and other chemicals. The biosynthesis of tert-butyl 2-methyl-3-oxobutanoate is dependent on the availability of a ketoaldehyde precursor. When tert-butyl acetate is incubated with aspergillus niger, the desired product can be obtained in high yield. Tertiary butyl 2 methyl 3 oxobutanoate can also be synthesized by deuteration of tertiary butyl alcohol with deuterium gas. The product can then be purified using gas chromatography/mass spectroscopy (GC/MS) and identified using nuclear magnetic resonance (NMR) analysis.

Formula: C₉H₁₆O₃

Purity: Min. 95%

Molecular weight: 172.22 g/mol

Ref: 3D-PBA14965