CAS 126494-78-8

Methyl 2-methyl-3,6-dioxo-1,4-cyclohexadiene-1-carboxylate

Description:

Methyl 2-methyl-3,6-dioxo-1,4-cyclohexadiene-1-carboxylate, with the CAS number 126494-78-8, is an organic compound characterized by its unique bicyclic structure that includes a cyclohexadiene framework. This compound features two carbonyl (C=O) groups, contributing to its dioxo functionality, and a carboxylate ester group, which enhances its reactivity and solubility in organic solvents. The presence of the methyl substituent at the 2-position adds to its steric properties and influences its chemical behavior. Typically, compounds of this nature may exhibit interesting reactivity patterns, including potential for electrophilic addition or condensation reactions due to the electron-withdrawing nature of the carbonyl groups. Additionally, the compound may display moderate to high polarity, affecting its interactions in various chemical environments. Its applications could span fields such as organic synthesis, pharmaceuticals, or agrochemicals, depending on its specific reactivity and functional properties. As with many organic compounds, safety data and handling precautions should be considered when working with this substance.

Formula: C₉H₈O₄

InChI: InChI=1S/C9H8O4/c1-5-6(10)3-4-7(11)8(5)9(12)13-2/h3-4H,1-2H3

InChI key: InChIKey=ABYRASOSBOFCMJ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(C)C(=O)C=CC1=O

Synonyms:

• 1,4-Cyclohexadiene-1-carboxylic acid, 2-methyl-3,6-dioxo-, methyl ester
• Methyl 2-methyl-3,6-dioxo-1,4-cyclohexadiene-1-carboxylate

1,4-Cyclohexadiene-1-carboxylic acid, 2-methyl-3,6-dioxo-, methyl ester

CAS: 126494-78-8

Formula: C₉H₈O₄

Purity: ≥95%

Molecular weight: 180.1574

Ref: IN-DA01QAML