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CAS 74240-65-6

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

Description:
4-(trans-5-Butyl-1,3-dioxan-2-yl)benzonitrile, with the CAS number 74240-65-6, is an organic compound characterized by its unique structural features. It contains a benzonitrile moiety, which is a benzene ring substituted with a nitrile group (-C≡N), contributing to its potential applications in organic synthesis and pharmaceuticals. The presence of a dioxane ring, specifically a 1,3-dioxan structure, indicates that the compound has a cyclic ether component, which can influence its solubility and reactivity. The butyl group attached to the dioxane ring enhances the hydrophobic character of the molecule, potentially affecting its interactions in biological systems. This compound may exhibit interesting properties such as specific solubility in organic solvents, moderate stability under standard conditions, and potential biological activity, making it a candidate for further research in medicinal chemistry. However, detailed studies would be necessary to fully elucidate its physical and chemical properties, as well as its potential applications.
Formula:C15H19NO2
InChI:InChI=1/C15H19NO2/c1-2-3-4-13-10-17-15(18-11-13)14-7-5-12(9-16)6-8-14/h5-8,13,15H,2-4,10-11H2,1H3/t13-,15-
InChI key:InChIKey=ZCZHIMLDHBRGMF-CTYIDZIINA-N
SMILES:C(CCC)[C@H]1CO[C@@H](OC1)C2=CC=C(C#N)C=C2
Synonyms:
  • 4-(trans-5-Butyl-1,3-dioxan-2-yl)benzonitrile
  • trans-2-(4-Cyanophenyl)-5-butyl-1,3-dioxane
  • Benzonitrile, 4-(trans-5-butyl-1,3-dioxan-2-yl)-
  • Benzonitrile, 4-(5-butyl-1,3-dioxan-2-yl)-, trans-
  • trans-4-(5-Butyl-1,3-dioxan-2-yl)benzonitrile
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