CAS 597-04-6

Ethyl 2,2-dimethylacetoacetate

Description:

Ethyl 2,2-dimethylacetoacetate, with the CAS number 597-04-6, is an organic compound belonging to the class of esters. It is characterized by its molecular formula, which typically includes carbon, hydrogen, and oxygen atoms. This compound features a distinctive acetoacetate functional group, which contributes to its reactivity and utility in various chemical reactions, particularly in synthetic organic chemistry. Ethyl 2,2-dimethylacetoacetate is often used as an intermediate in the synthesis of pharmaceuticals and other organic compounds due to its ability to undergo various transformations, such as condensation and alkylation reactions. The compound is generally a colorless to pale yellow liquid with a fruity odor, and it is soluble in organic solvents. Its boiling point and density can vary, but it is typically less dense than water. Safety precautions should be taken when handling this compound, as it may pose health risks if inhaled or ingested. Overall, its unique structure and reactivity make it a valuable substance in chemical synthesis.

Formula: C₈H₁₄O₃

InChI: InChI=1S/C8H14O3/c1-5-11-7(10)8(3,4)6(2)9/h5H2,1-4H3

InChI key: InChIKey=NVAHZHOCRQCUBY-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(C(C)=O)(C)C

Synonyms:

• 2,2-Dimethyl-3-oxobutanoic acid ethyl ester
• 2,2-Dimethyl-3-oxobutyric acid ethyl ester
• 2-Acetyl-2-(ethoxycarbonyl)propane
• Acetoacetic acid, 2,2-dimethyl-, ethyl ester
• Ai3-11095
• Butanoic acid, 2,2-dimethyl-3-oxo-, ethyl ester
• Ethyl 2,2-Dimethyl-3-Oxo-Butanoate
• Ethyl 2,2-dimethyl-3-oxobutanoate
• Ethyl 2,2-dimethyl-3-oxobutyrate
• Ethyl 2-acetyl-2-methylpropionate
• Ethyl acetyldimethylacetate
• Ethyl α,α-dimethylacetoacetate
• NSC 29039

2,2-Dimethyl-3-oxo-butyric acid ethyl ester

CAS: 597-04-6

Formula: C₈H₁₄O₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 158.1950

Ref: IN-DA00E9R7

2,2-Dimethyl-3-oxo-butyric acid ethyl ester

CAS: 597-04-6

2,2-Dimethyl-3-oxo-butyric acid ethyl ester

Purity: 95%

Color and Shape: Liquid

Molecular weight: 158.19g/mol

Ref: 54-OR929960

2,2-Dimethylacetoacetic Acid Ethyl Ester

Controlled Product

CAS: 597-04-6

Applications Used in the synthesis of esters of α,α-dimethyl-β-keto acids.

Formula: C₈H₁₄O₃

Color and Shape: Neat

Molecular weight: 158.20

Ref: TR-D460776