CAS 74800-62-7
:4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile
Description:
4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile, with the CAS number 74800-62-7, is an organic compound characterized by its unique structure that includes a benzonitrile moiety and a dioxane ring. This compound features a pentyl group, which contributes to its hydrophobic characteristics, making it less soluble in water but more soluble in organic solvents. The presence of the dioxane ring suggests potential for interesting chemical reactivity and stability, as dioxanes are known for their ether-like properties. The nitrile functional group (-C≡N) is notable for its ability to participate in various chemical reactions, including nucleophilic additions and transformations into other functional groups. This compound may exhibit biological activity, making it of interest in medicinal chemistry and material science. Its physical properties, such as melting point, boiling point, and specific reactivity, would depend on the overall molecular interactions and the environment in which it is studied. Further research would be necessary to fully elucidate its potential applications and characteristics.
Formula:C16H21NO2
InChI:InChI=1S/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
InChI key:InChIKey=SSXIKUCDZOQOKB-UHFFFAOYSA-N
SMILES:C(CCCC)C1COC(OC1)C2=CC=C(C#N)C=C2
Synonyms:- 4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile
- Benzonitrile, 4-(5-pentyl-1,3-dioxan-2-yl)-
- 2-(4-Cyanophenyl)-5-n-pentyl-1,3-dioxane
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