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CS-W001157 4
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N-[(3-(Anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline hydrochloride

  • CAS No. 63857-00-1

  • Cat. No. CS-0028758
  • Purity≥94%
  • MDL No.MFCD00191759

*For research and further manufacturing use only, not for direct human use.

N-[(3-(Anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline hydrochloride|CS-0028758

Structure of 63857-00-1

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General Information

  • CAS No. 63857-00-1
  • Cat. No. CS-0028758
  • Purity ≥94%
  • MDL No. MFCD00191759
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₀Cl₂N₂
  • Molecular Weight 359.29
  • Synonym(s) None
  • SMILES ClC1=C(CCC/C1=C\NC2=CC=CC=C2)/C=N/C3=CC=CC=C3.Cl

Description

This aniline-derived cyclohexenyl imine hydrochloride features a conjugated imine system flanked by electron-rich aromatic rings and a chlorinated alkenyl moiety, enabling robust integration into transition metal-catalyzed coupling networks. The salt form enhances solubility and handling stability under standard conditions.

Application

N-[(3-(Anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline (hydrochloride) serves as a versatile electrophilic building block for the construction of substituted cyclohexenyl scaffolds. The chloride-bearing ene-amine system enables facile functionalization via nucleophilic displacement or transition-metal-catalyzed coupling, while the anilinomethylene moieties offer orthogonal reactivity for downstream derivatization. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step synthesis of complex heterocyclic architectures.

Safety Information

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GHS Pictogram :
GHS No : GHS07,GHS08
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H319-H332-H341-H351-H372
Precautionary Statements : P201-P202-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P341-P305+P351+P338-P308+P313-P312-P314-P330-P337+P313-P363-P405-P501

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Computational Chemistry Data

  • TPSA   24.39
  • LogP   6.4835
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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