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CAS 306936-16-3

:

5-(1,1-Dimethylethyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylic acid

Description:
5-(1,1-Dimethylethyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylic acid, with the CAS number 306936-16-3, is a chemical compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity in various chemical reactions. The presence of a phenyl group and a tert-butyl substituent enhances its hydrophobic characteristics, which may influence its solubility and interaction with biological systems. The methyl group further adds to the steric bulk around the nitrogen atom, potentially affecting its electronic properties and reactivity. This compound may be of interest in pharmaceutical research and organic synthesis due to its unique structural features, which could impart specific biological activities or serve as a building block for more complex molecules. Its stability, solubility, and reactivity would depend on the specific conditions under which it is handled, including pH and solvent choice.
Formula:C16H19NO2
InChI:InChI=1S/C16H19NO2/c1-11-13(15(18)19)10-14(16(2,3)4)17(11)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,18,19)
InChI key:InChIKey=NHLBUGVWPXSFTL-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C=1N(C(C)=C(C(O)=O)C1)C2=CC=CC=C2
Synonyms:
  • 1H-Pyrrole-3-carboxylic acid, 5-(1,1-dimethylethyl)-2-methyl-1-phenyl-
  • 5-(1,1-Dimethylethyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylic acid
  • 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylic acid
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