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CS-W001157 4
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3-Methyl-1-cyclohexanecarboxylic acid

  • CAS No. 13293-59-9

  • Cat. No. CS-0204578
  • Purity≥97%
  • MDL No.MFCD00074908

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

3-Methyl-1-cyclohexanecarboxylic acid|CS-0204578

Structure of 13293-59-9

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General Information

  • CAS No. 13293-59-9
  • Cat. No. CS-0204578
  • Purity ≥97%
  • MDL No. MFCD00074908
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₂
  • Molecular Weight 142.20
  • Synonym(s) 3-Methylcyclohexanecarboxylic acid
  • SMILES O=C(O)C1CCCC(C)C1

Description

3-Methyl-1-cyclohexanecarboxylic acid features a rigid cyclohexane ring with a strategically positioned methyl group and carboxylic acid functionality, enabling precise steric and electronic modulation in synthetic applications. This structure supports efficient incorporation into complex molecular architectures requiring defined conformational rigidity and controlled reactivity.

Application

3-Methyl-1-cyclohexanecarboxylic acid serves as a versatile building block in medicinal chemistry and natural product synthesis, offering a rigid cyclohexane scaffold with a carboxylic acid functionality for derivatization. Its bench-stable nature and compatibility with standard coupling reactions enable efficient access to esters, amides, and other functionalized analogs. The methyl substituent provides subtle steric and electronic modulation, enhancing structural diversity in target-oriented synthesis.

Synthesis

  • Route1

    References

    • Krapcho, A.Paul; Dundulis, Edward A. Journal of Organic Chemistry, 1980 , vol. 45, # 16 p. 3236 - 3245
  • Route2

    References

    • J. Appl. Chem. USSR (Engl. Transl.), , vol. 63, # 11.2 p. 2538 - 2542,2349 - 2353
  • Route3

    References

    • Justus Liebigs Annalen der Chemie, , vol. 431, p. 23

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8973
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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