CAS 3807-57-6

2,5-Dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid

Description:

2,5-Dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid, with the CAS number 3807-57-6, is an organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features two methyl groups at the 2 and 5 positions of the pyrrole ring, enhancing its hydrophobic character. The presence of a carboxylic acid functional group at the 3-position contributes to its acidity and potential for forming hydrogen bonds, influencing its solubility in polar solvents. Additionally, the para-methylphenyl substituent at the 1-position introduces steric effects and can affect the compound's reactivity and interaction with biological systems. This compound may exhibit interesting properties such as fluorescence or biological activity, making it of interest in various fields, including pharmaceuticals and materials science. Its synthesis typically involves multi-step organic reactions, and it can be analyzed using techniques like NMR and mass spectrometry to confirm its structure and purity.

Formula: C₁₄H₁₅NO₂

InChI: InChI=1S/C14H15NO2/c1-9-4-6-12(7-5-9)15-10(2)8-13(11(15)3)14(16)17/h4-8H,1-3H3,(H,16,17)

InChI key: InChIKey=YNFCEUIZSXIFCE-UHFFFAOYSA-N

SMILES: CC=1N(C(C)=CC1C(O)=O)C2=CC=C(C)C=C2

Synonyms:

• 1H-pyrrole-3-carboxylic acid, 2,5-dimethyl-1-(4-methylphenyl)-
• 2,5-Dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylic acid
• Pyrrole-3-carboxylic acid, 2,5-dimethyl-1-p-tolyl-
• 2,5-Dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid

2,5-Dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid

CAS: 3807-57-6

Versatile small molecule scaffold

Formula: C₁₄H₁₅NO₂

Purity: Min. 95%

Molecular weight: 229.27 g/mol

Ref: 3D-DAA80757