CAS 941280-53-1

3-[(1S,2R)-1-[(4-Chlorophenyl)methyl]-2-hydroxypropyl]benzonitrile

Description:

3-[(1S,2R)-1-[(4-Chlorophenyl)methyl]-2-hydroxypropyl]benzonitrile, with the CAS number 941280-53-1, is a chemical compound characterized by its complex structure that includes a benzonitrile moiety and a chiral center. This compound features a hydroxyl group, which contributes to its potential solubility in polar solvents and may influence its reactivity and interactions with biological systems. The presence of the 4-chlorophenyl group suggests that it may exhibit specific electronic properties, potentially enhancing its biological activity or affinity for certain receptors. The stereochemistry indicated by the (1S,2R) configuration implies that the compound can exist in different enantiomeric forms, which may lead to variations in pharmacological effects. Overall, this compound's unique structural features make it of interest in medicinal chemistry, particularly in the development of pharmaceuticals where chirality plays a crucial role in efficacy and safety. Further studies would be necessary to fully elucidate its biological properties and potential applications.

Formula: C₁₇H₁₆ClNO

InChI: InChI=1S/C17H16ClNO/c1-12(20)17(10-13-5-7-16(18)8-6-13)15-4-2-3-14(9-15)11-19/h2-9,12,17,20H,10H2,1H3/t12-,17-/m1/s1

InChI key: InChIKey=ZZKVEFYFXLIAQY-SJKOYZFVSA-N

SMILES: [C@@H](CC1=CC=C(Cl)C=C1)([C@@H](C)O)C2=CC(C#N)=CC=C2

Synonyms:

• Benzonitrile, 3-[(1S,2R)-1-[(4-chlorophenyl)methyl]-2-hydroxypropyl]-
• 3-[(1S,2R)-1-[(4-Chlorophenyl)methyl]-2-hydroxypropyl]benzonitrile