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1-Phenylcyclohexane-1-carboxylic acid

  • CAS No. 1135-67-7

  • Cat. No. CS-0128906
  • Purity≥98%
  • MDL No.MFCD00037152

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

1-Phenylcyclohexane-1-carboxylic acid|CS-0128906

Structure of 1135-67-7

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General Information

  • CAS No. 1135-67-7
  • Cat. No. CS-0128906
  • Purity ≥98%
  • MDL No. MFCD00037152
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₂
  • Molecular Weight 204.26
  • Synonym(s) 1-Phenylcyclohexanecarboxylic acid
  • SMILES O=C(C1(C2=CC=CC=C2)CCCCC1)O

Description

1-Phenylcyclohexane-1-carboxylic acid features a rigid cyclohexane ring bearing both a phenyl group and a carboxylic acid moiety, enabling its use in stereocontrolled synthesis. The conjugated aryl-carboxyl system enhances stability and facilitates derivatization under standard conditions. This structural motif serves as a key scaffold in medicinal chemistry and materials science applications.

Application

1-Phenylcyclohexane-1-carboxylic acid serves as a versatile building block in medicinal chemistry and materials science, enabling the synthesis of bioactive compounds and functional polymers. Its rigid bicyclic architecture imparts conformational stability, while the carboxylic acid group facilitates direct derivatization via esterification, amide coupling, or decarboxylation. The molecule exhibits excellent bench stability and tolerates a broad range of reaction conditions, making it ideal for multi-step syntheses and scale-up applications.

Synthesis

  • Route1
    • 1-Phenylcyclohexanecarbonitrile|CS-0207495
      2201-23-2
    • ~74%
    • In-stock
      1-Phenylcyclohexane-1-carboxylic acid|CS-0128906
      1135-67-7

    References

    • The United States of America as represented by the Secretary of the Army Patent: US5331010 A1, 1994 ;
  • Route2
    • null|null
      40348-04-7
    • ~44%
    • In-stock
      1-Phenylcyclohexane-1-carboxylic acid|CS-0128906
      1135-67-7

    References

    • Rudler, Henri; Comte, Virginie; Garrier, Eva; Bellassoued, Moncef; Chelain, Evelyne; Vaissermann, Jaqueline Journal of Organometallic Chemistry, 2001 , vol. 621, # 1-2 p. 284 - 298
  • Route3
    • (1-Phenylcyclohexyl)methanol|CS-0580351
      68692-77-3
    • ~%
    • In-stock
      1-Phenylcyclohexane-1-carboxylic acid|CS-0128906
      1135-67-7

    References

    • Chemical Communications, , # 13 p. 1739 - 1741

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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.9731
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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