CAS 17094-21-2

Methyl 2-methylacetoacetate

Description:

Methyl 2-methylacetoacetate, with the CAS number 17094-21-2, is an organic compound that belongs to the class of esters. It is characterized by its molecular structure, which includes a methyl group and an acetoacetate moiety, contributing to its reactivity and versatility in organic synthesis. This compound typically appears as a colorless to pale yellow liquid with a pleasant odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic nature. Methyl 2-methylacetoacetate is often utilized as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and fine chemicals, owing to its ability to undergo various chemical reactions, including condensation and acylation. Additionally, it may exhibit biological activity, making it of interest in medicinal chemistry. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₆H₁₀O₃

InChI: InChI=1S/C6H10O3/c1-4(5(2)7)6(8)9-3/h4H,1-3H3

InChI key: InChIKey=NDTWZHURUDSPQV-UHFFFAOYSA-N

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

Synonyms:

• (±)-Methyl 2-Methyl-3-oxobutanoate
• 2-Methyl-3-oxobutanoic acid methyl ester
• Acetoacetic acid, 2-methyl-, methyl ester
• Butanoic acid, 2-methyl-3-oxo-, methyl ester
• Methyl 2-Methyl-3-Oxo-Butanoate
• Methyl 2-methyl-3-ketobutyrate
• Methyl 2-methyl-3-oxobutyrate
• Methyl α-methylacetoacetate
• NSC 147474
• Methyl 2-methylacetoacetate

methyl 2-methylacetoacetate

CAS: 17094-21-2

Formula: C₆H₁₀O₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 130.1418

Ref: IN-DA00ABKR

Methyl 2-methyl-3-oxobutanoate

CAS: 17094-21-2

Methyl 2-methyl-3-oxobutanoate

Purity: 95%

Molecular weight: 130.14g/mol

Ref: 54-OR77340

METHYL 2-METHYL-3-OXOBUTANOATE

CAS: 17094-21-2

Formula: C₆H₁₀O₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 130.143

Ref: 10-F390142

Methyl 2-methyl-3-oxobutanoate

CAS: 17094-21-2

Methyl 2-methyl-3-oxobutanoate (MMOB) is a chemical compound that is the ester of methyl butanoate and methanol. MMOB can be prepared by allylation of molybdenum, forming a Grignard reagent. This reaction produces an enolate, which reacts with the diastereomer to form the product. The stereochemical sequence for this reaction is anti. The optical rotation for MMOB can be either dextrorotatory or levorotatory, depending on the configuration of the product's chiral center.
Methyl 2-methyl-3-oxobutanoate has been used as an attractant in insect studies and as a precursor to nonactin, a herbicide that inhibits plant growth by interfering with photosynthesis.

Formula: C₆H₁₀O₃

Purity: Min. 95%

Molecular weight: 130.14 g/mol

Ref: 3D-SAA09421