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CS-W001157 4
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1-(4-Chlorophenyl)cyclohexane-1-carboxylic acid

  • CAS No. 58880-37-8

  • Cat. No. CS-0132701
  • Purity≥98%
  • MDL No.MFCD00019350

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

1-(4-Chlorophenyl)cyclohexane-1-carboxylic acid|CS-0132701

Structure of 58880-37-8

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General Information

  • CAS No. 58880-37-8
  • Cat. No. CS-0132701
  • Purity ≥98%
  • MDL No. MFCD00019350
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅ClO₂
  • Molecular Weight 238.71
  • Synonym(s) 1-(4-Chlorophenyl)cyclohexanecarboxylic acid
  • SMILES O=C(C1(C2=CC=C(Cl)C=C2)CCCCC1)O

Description

This cyclohexane carboxylic acid derivative features a para-chlorophenyl substituent that enhances lipophilicity and metabolic stability. The rigid, saturated ring system provides conformational control, while the carboxylic acid group enables direct conjugation or salt formation for improved solubility in synthetic workflows.

Application

1-(4-Chlorophenyl)cyclohexane-1-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard functional group transformations. Its cyclohexyl core provides conformational rigidity, while the para-chlorophenyl moiety offers favorable lipophilicity and metabolic stability. The carboxylic acid functionality facilitates direct coupling reactions or derivatization, supporting efficient synthesis of target molecules in drug discovery programs.

Synthesis

  • Route1
    • 1-(4-Chlorophenyl)-4-oxocyclohexane-1-carboxylic acid|CS-0313854
      854446-73-4
    • ~%
    • In-stock
      1-(4-Chlorophenyl)cyclohexane-1-carboxylic acid|CS-0132701
      58880-37-8

    References

    • Journal of the American Chemical Society, , vol. 68, p. 828,831
  • Route2
    • null|null
      111-24-0
    • ~%
    • In-stock
      1-(4-Chlorophenyl)cyclohexane-1-carboxylic acid|CS-0132701
      58880-37-8

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 5 p. 1438 - 1441
  • Route3
    • 1-(4-Chlorophenyl)cyclohexane-1-carbonitrile|CS-0363596
      64399-28-6
    • ~%
    • In-stock
      1-(4-Chlorophenyl)cyclohexane-1-carboxylic acid|CS-0132701
      58880-37-8

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 5 p. 1438 - 1441

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.6265
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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