CAS 1261898-01-4

[1,1′-Biphenyl]-3-carbonitrile, 4′-(1,1-dimethylethyl)-4-hydroxy-

Description:

[1,1′-Biphenyl]-3-carbonitrile, 4′-(1,1-dimethylethyl)-4-hydroxy- is an organic compound characterized by its biphenyl structure, which consists of two phenyl rings connected by a single bond. The presence of a carbonitrile group (-C≡N) at the 3-position and a tert-butyl group (1,1-dimethylethyl) at the 4′-position contributes to its unique chemical properties, including potential hydrophobicity and steric hindrance. The hydroxyl group (-OH) at the 4-position of the biphenyl moiety enhances its polarity and can participate in hydrogen bonding, influencing its solubility and reactivity. This compound may exhibit interesting biological activities due to its structural features, making it a candidate for various applications in pharmaceuticals or agrochemicals. Additionally, its molecular structure suggests potential for further derivatization, which could lead to the development of new compounds with tailored properties. As with many organic compounds, its stability, reactivity, and interactions with other substances will depend on environmental conditions such as pH, temperature, and solvent.

Formula: C₁₇H₁₇NO

InChI: InChI=1S/C17H17NO/c1-17(2,3)15-7-4-12(5-8-15)13-6-9-16(19)14(10-13)11-18/h4-10,19H,1-3H3

InChI key: InChIKey=BIWHSVWHYNVYCK-UHFFFAOYSA-N

SMILES: C(#N)C=1C=C(C=CC1O)C2=CC=C(C(C)(C)C)C=C2

Synonyms:

• 5-(4-tert-Butylphenyl)-2-hydroxybenzonitrile
• [1,1′-Biphenyl]-3-carbonitrile, 4′-(1,1-dimethylethyl)-4-hydroxy-