CAS 1261948-68-8

3′-Hydroxy-5′-(trifluoromethoxy)[1,1′-biphenyl]-4-carbonitrile

Description:

3′-Hydroxy-5′-(trifluoromethoxy)[1,1′-biphenyl]-4-carbonitrile is a chemical compound characterized by its biphenyl structure, which consists of two phenyl rings connected by a single bond. The presence of a hydroxyl group (-OH) at the 3′ position and a trifluoromethoxy group (-O-CF3) at the 5′ position contributes to its unique chemical properties, including potential polarity and reactivity. The carbonitrile group (-C≡N) at the 4-position enhances its ability to participate in nucleophilic reactions and may influence its biological activity. This compound is likely to exhibit significant lipophilicity due to the trifluoromethoxy substituent, which can affect its solubility and interaction with biological membranes. Additionally, the presence of multiple functional groups suggests potential applications in pharmaceuticals or agrochemicals, where such modifications can enhance efficacy or selectivity. Overall, the structural features of this compound indicate a complex interplay of electronic effects and steric hindrance, making it a subject of interest in synthetic and medicinal chemistry.

Formula: C₁₄H₈F₃NO₂

InChI: InChI=1S/C14H8F3NO2/c15-14(16,17)20-13-6-11(5-12(19)7-13)10-3-1-9(8-18)2-4-10/h1-7,19H

InChI key: InChIKey=ZJYLUYAGJRTYQJ-UHFFFAOYSA-N

SMILES: O(C(F)(F)F)C=1C=C(C=C(O)C1)C2=CC=C(C#N)C=C2

Synonyms:

• 3′-Hydroxy-5′-(trifluoromethoxy)[1,1′-biphenyl]-4-carbonitrile
• [1,1′-Biphenyl]-4-carbonitrile, 3′-hydroxy-5′-(trifluoromethoxy)-