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CS-W001157 4
Total: USD 88.00

4-Cyclopropylbenzoic acid

  • CAS No. 1798-82-9

  • Cat. No. CS-0043870
  • Molecule weight162.19
  • Purity≥98%
  • MDL No.None

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

4-Cyclopropylbenzoic acid|CS-0043870

Structure of 1798-82-9

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General Information

  • CAS No. 1798-82-9
  • Cat. No. CS-0043870
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂
  • Molecular Weight 162.19
  • Synonym(s) 4-CYCLOPROPYL-BENZOIC ACID
  • SMILES O=C(O)C1=CC=C(C2CC2)C=C1

Description

4-Cyclopropylbenzoic acid features a rigid aromatic core appended with a cyclopropyl substituent at the para position, delivering enhanced lipophilicity and metabolic stability. This structural motif integrates readily into bioactive molecules, serving as a valuable scaffold in medicinal chemistry for modulating target binding and pharmacokinetic profiles.

Application

4-Cyclopropylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. Its cyclopropyl substituent imparts favorable lipophilic character and metabolic stability, while the carboxylic acid group facilitates direct derivatization via esterification, amide coupling, or decarboxylation. The compound exhibits excellent bench stability and compatibility with standard synthetic protocols, supporting efficient purification and scalability in process development.

Synthesis

  • Route1

    References

    • Journal of the Chemical Society [Section] C: Organic, , p. 2095 - 2096
  • Route2
    • In-stock
      Coumalic acid|CS-0001427
      500-05-0
    • null|null
      6746-94-7
    • ~42%
    • In-stock
      4-Cyclopropylbenzoic acid|CS-0043870
      1798-82-9

    References

    • GEORGETOWN UNIVERSITY Patent: WO2009/146013 A1, 2009 ; Location in patent: Page/Page column 61 ; WO 2009/146013 A1
  • Route3
    • 1-Cyclopropyl-4-nitrobenzene|CS-0363848
      6921-44-4
    • ~%
    • In-stock
      4-Cyclopropylbenzoic acid|CS-0043870
      1798-82-9

    References

    • Journal of the American Chemical Society, , vol. 90, p. 3404 - 3415

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   2.2622
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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