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CAS 26180-28-9

:

3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid

Description:
3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid, with the CAS number 26180-28-9, is an organic compound characterized by its unique structure that combines a benzoic acid moiety with a pyrrole derivative. This compound features a pyrrole ring substituted with two methyl groups at the 2 and 5 positions, which contributes to its distinct chemical properties. The presence of the carboxylic acid functional group (-COOH) in the benzoic acid part imparts acidic characteristics, allowing it to participate in various chemical reactions, such as esterification and amidation. The compound is likely to exhibit moderate solubility in polar solvents due to the hydrophilic nature of the carboxylic acid group, while the aromatic and pyrrole components may enhance its lipophilicity. Additionally, the presence of multiple functional groups suggests potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Its specific reactivity and interactions would depend on the surrounding conditions, such as pH and solvent environment.
Formula:C13H13NO2
InChI:InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
InChI key:InChIKey=NJPUZFUOUGTNOV-UHFFFAOYSA-N
SMILES:CC=1N(C(C)=CC1)C2=CC(C(O)=O)=CC=C2
Synonyms:
  • 3-(2,5-Dimethylpyrrol-1-yl)benzoic acid
  • Benzoic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-
  • Benzoic acid, m-(2,5-dimethylpyrrol-1-yl)-
  • C 128773
  • Chembridge 5128773
  • 3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
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