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CS-W001157 4
Total: USD 88.00

1-Bromo-4-(trans-4-ethylcyclohexyl)benzene

  • CAS No. 91538-82-8

  • Cat. No. CS-0061080
  • Purity≥98%
  • MDL No.None

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

1-Bromo-4-(trans-4-ethylcyclohexyl)benzene|CS-0061080

Structure of 91538-82-8

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General Information

  • CAS No. 91538-82-8
  • Cat. No. CS-0061080
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉Br
  • Molecular Weight 267.20
  • Synonym(s) 4-trans-Ethylcyclohexylbromobenzene
  • SMILES CC[C@H]1CC[C@H](C2=CC=C(Br)C=C2)CC1

Description

1-Bromo-4-(trans-4-ethylcyclohexyl)benzene features a rigid trans-alkylated cyclohexyl group that imparts conformational stability and enhanced lipophilicity. This structural rigidity facilitates predictable orientation in transition-metal-catalyzed coupling reactions, enabling efficient construction of complex aryl architectures under standard conditions.

Application

1-Bromo-4-(trans-4-ethylcyclohexyl)benzene serves as a versatile aryl halide building block for Suzuki-Miyaura and Negishi coupling reactions, enabling efficient construction of biaryl scaffolds. The trans-4-ethylcyclohexyl group provides conformational rigidity and enhanced lipophilicity, beneficial in medicinal chemistry lead optimization. Bench-stable and compatible with standard cross-coupling conditions, it facilitates reliable functionalization under mild reaction parameters.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   5.1329
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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