CAS 749863-29-4

Benzoic acid, 5-(dimethylamino)-2-nitro-, methyl ester

Description:

Benzoic acid, 5-(dimethylamino)-2-nitro-, methyl ester, identified by CAS number 749863-29-4, is an organic compound characterized by its functional groups, including a benzoic acid moiety, a nitro group, and a dimethylamino group. This compound typically appears as a solid or crystalline substance and is soluble in organic solvents, reflecting its non-polar characteristics due to the aromatic ring. The presence of the nitro group introduces significant polarity, which can influence its reactivity and interactions with other molecules. The dimethylamino group contributes basic properties, allowing for potential protonation under acidic conditions. This compound may exhibit biological activity, making it of interest in pharmaceutical and chemical research. Its synthesis often involves the nitration of a substituted benzoic acid followed by esterification, highlighting its relevance in organic synthesis. Safety data should be consulted, as compounds with nitro and amino functionalities can pose health risks, including toxicity and environmental hazards. Overall, this compound's unique structure and properties make it a subject of interest in various chemical applications.

Formula: C₁₀H₁₂N₂O₄

InChI: InChI=1S/C10H12N2O4/c1-11(2)7-4-5-9(12(14)15)8(6-7)10(13)16-3/h4-6H,1-3H3

InChI key: InChIKey=MCILWQJVQABHJC-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(N(=O)=O)C=CC(N(C)C)=C1

Synonyms:

• Methyl 5-(dimethylamino)-2-nitrobenzoate
• Benzoic acid, 5-(dimethylamino)-2-nitro-, methyl ester
• 5-Dimethylamino-2-nitrobenzoic acid methyl ester