CAS 167299-68-5

3-METHOXYCARBONYL-5-METHYLBENZOIC ACID

Description:

3-Methoxycarbonyl-5-methylbenzoic acid, with the CAS number 167299-68-5, is an aromatic carboxylic acid characterized by the presence of both a methoxycarbonyl group and a methyl group on a benzene ring. This compound features a methoxycarbonyl (-COOCH3) functional group, which contributes to its reactivity and solubility in organic solvents. The methyl group at the 5-position of the benzene ring influences its steric and electronic properties, potentially affecting its reactivity in various chemical reactions. As a benzoic acid derivative, it exhibits typical acid characteristics, including the ability to donate protons in solution. The presence of the methoxy group can also enhance its lipophilicity, making it more soluble in organic solvents compared to its non-methoxy-substituted counterparts. This compound may be of interest in organic synthesis, pharmaceuticals, and materials science due to its unique structural features and potential applications in various chemical processes.

Formula: C₁₀H₁₀O₄

InChI: InChI=1/C10H10O4/c1-6-3-7(9(11)12)5-8(4-6)10(13)14-2/h3-5H,1-2H3,(H,11,12)

SMILES: Cc1cc(cc(c1)C(=O)OC)C(=O)O

Synonyms:

• 3-(Methoxycarbonyl)-5-Methylbenzoate
• 3-Methoxy carbonyl-5-methylbenzoic acid
• 5-Methylisophthalic acid monomethyl ester

1,3-Benzenedicarboxylic acid, 5-methyl-, 1-methyl ester

CAS: 167299-68-5

Formula: C₁₀H₁₀O₄

Purity: 96%

Color and Shape: Solid

Molecular weight: 194.1840

Ref: IN-DA001X9U

3-Methoxycarbonyl-5-methylbenzoic acid

CAS: 167299-68-5

3-Methoxycarbonyl-5-methylbenzoic acid

Purity: 95%

Color and Shape: Solid

Molecular weight: 194.18g/mol

Ref: 54-OR5802

3-(Methoxycarbonyl)-5-methylbenzoic acid

CAS: 167299-68-5

Formula: C₁₀H₁₀O₄

Purity: 95.0%

Color and Shape: Liquid, No data available.

Molecular weight: 194.186

Ref: 10-F236441

3-(Methoxycarbonyl)-5-methylbenzoic acid

CAS: 167299-68-5

3-(Methoxycarbonyl)-5-methylbenzoic acid is a potent inhibitor of the enzyme xanthine oxidoreductase. It has been shown to inhibit the production of uric acid in cell-based assays, and also inhibits the enzyme xanthine dehydrogenase, which catalyzes the conversion of hypoxanthine to xanthine. 3-(Methoxycarbonyl)-5-methylbenzoic acid is a low nanomolar inhibitor of the enzyme xanthine oxidoreductase and is selective for this target over other enzymes such as cytochrome P450. 3-(Methoxycarbonyl)-5-methylbenzoic acid has an isostere group that binds to a subpocket on the enzyme and blocks access to substrate. The molecular weight of 3-(methoxycarbonyl)-5-methylbenzoic acid makes it suitable for analysis by X-ray crystallography.

Formula: C₁₀H₁₀O₄

Purity: Min. 95%

Molecular weight: 194.18 g/mol

Ref: 3D-SGA29968