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CAS 1215206-04-4

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3′-(1,1-Dimethylethyl)[1,1′-biphenyl]-3-carboxylic acid

Description:
3′-(1,1-Dimethylethyl)[1,1′-biphenyl]-3-carboxylic acid is an organic compound characterized by its biphenyl structure, which consists of two phenyl rings connected by a single bond. The presence of a carboxylic acid functional group (-COOH) at the 3-position of the biphenyl moiety indicates that it can participate in acid-base reactions and may exhibit acidic properties. The tert-butyl group (1,1-dimethylethyl) at the 3′ position enhances the compound's hydrophobicity and steric bulk, potentially influencing its reactivity and solubility in various solvents. This compound may be of interest in organic synthesis, pharmaceuticals, or materials science due to its unique structural features. Additionally, the presence of multiple aromatic rings suggests potential for π-π stacking interactions, which could be relevant in applications involving molecular recognition or self-assembly. Overall, the characteristics of this compound make it a subject of interest for further research in various chemical contexts.
Formula:C17H18O2
InChI:InChI=1S/C17H18O2/c1-17(2,3)15-9-5-7-13(11-15)12-6-4-8-14(10-12)16(18)19/h4-11H,1-3H3,(H,18,19)
InChI key:InChIKey=CIFFSZLDSORYNG-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C=1C=C(C=CC1)C2=CC(C(O)=O)=CC=C2
Synonyms:
  • [1,1′-Biphenyl]-3-carboxylic acid, 3′-(1,1-dimethylethyl)-
  • 3′-(1,1-Dimethylethyl)[1,1′-biphenyl]-3-carboxylic acid
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