CAS 74240-66-7

4-(trans-5-Pentyl-1,3-dioxan-2-yl)benzonitrile

Description:

4-(trans-5-Pentyl-1,3-dioxan-2-yl)benzonitrile, identified by its CAS number 74240-66-7, is a chemical compound characterized by its unique structure that includes a benzonitrile moiety and a dioxane ring. The presence of the pentyl group contributes to its hydrophobic characteristics, while the dioxane ring enhances its stability and solubility in organic solvents. This compound may exhibit interesting properties such as potential biological activity, making it of interest in medicinal chemistry and material science. Its nitrile functional group can participate in various chemical reactions, including nucleophilic additions and polymerization processes. Additionally, the compound's structural features suggest it may have applications in the development of pharmaceuticals or as a building block in organic synthesis. However, specific physical properties such as melting point, boiling point, and solubility would require empirical measurement or literature reference for precise characterization. Overall, 4-(trans-5-Pentyl-1,3-dioxan-2-yl)benzonitrile represents a versatile compound with potential utility in various chemical applications.

Formula: C₁₆H₂₁NO₂

InChI: InChI=1/C16H21NO2/c1-2-3-4-5-14-11-18-16(19-12-14)15-8-6-13(10-17)7-9-15/h6-9,14,16H,2-5,11-12H2,1H3/t14-,16-

InChI key: InChIKey=SSXIKUCDZOQOKB-KOMQPUFPNA-N

SMILES: C(CCCC)[C@H]1CO[C@@H](OC1)C2=CC=C(C#N)C=C2

Synonyms:

• trans-4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile
• trans-2-(4-Cyanophenyl)-5-pentyl-1,3-dioxane
• Benzonitrile, 4-(5-pentyl-1,3-dioxan-2-yl)-, trans-
• 4-(trans-5-Pentyl-1,3-dioxan-2-yl)benzonitrile
• Benzonitrile, 4-(trans-5-pentyl-1,3-dioxan-2-yl)-