Tel:

Email:

EN
Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

3-Cyclopropylbenzoic acid

  • CAS No. 1129-06-2

  • Cat. No. CS-0133002
  • Purity≥98%
  • MDL No.MFCD00626842

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

3-Cyclopropylbenzoic acid|CS-0133002

Structure of 1129-06-2

Please choose your location and provide accurate information for you
Size Stock
Price Quantity

* Please select Quantity before adding items.

General Information

  • CAS No. 1129-06-2
  • Cat. No. CS-0133002
  • Purity ≥98%
  • MDL No. MFCD00626842
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂
  • Molecular Weight 162.19
  • Synonym(s) 1129-06-2
  • SMILES O=C(O)C1=CC=CC(C2CC2)=C1

Description

3-Cyclopropylbenzoic acid features a cyclopropyl substituent at the meta position of the benzoic acid scaffold, introducing unique steric and electronic properties. This structural motif enhances metabolic stability and modulates lipophilicity, making it valuable for medicinal chemistry applications. The carboxylic acid group enables direct derivatization or salt formation under standard conditions.

Application

3-Cyclopropylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. Its ortho-cyclopropyl substitution imparts distinct steric and electronic properties that influence binding affinity and metabolic stability. The carboxylic acid group facilitates direct derivatization—via amide formation, esterification, or activation for coupling reactions—while the cyclopropyl moiety offers enhanced rigidity and lipophilicity. Bench-stable and compatible with standard purification methods, it functions reliably in multi-step synthesis workflows.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      1-Bromo-3-cyclopropylbenzene|CS-W005479
      1798-85-2
    • ~43%
    • In-stock
      3-Cyclopropylbenzoic acid|CS-0133002
      1129-06-2

    References

    • ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2004/14881 A2, 2004 ; Location in patent: Page 136-137 ; WO 2004/014881 A2
  • Route2
    • Methyl 3-cyclopropylbenzoate|CS-0721297
      148438-02-2
    • ~75%
    • In-stock
      3-Cyclopropylbenzoic acid|CS-0133002
      1129-06-2

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2007/71955 A1, 2007 ; Location in patent: Page/Page column 55-56 ; WO 2007/071955 A1
  • Route3
    • In-stock
      1-Bromo-3-cyclopropylbenzene|CS-W005479
      1798-85-2
    • null|null
      544-92-3
    • ~%
    • In-stock
      3-Cyclopropylbenzoic acid|CS-0133002
      1129-06-2

    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

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.2622
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 3-Cyclopropylbenzoic acid sigma3-Cyclopropylbenzoic acid manufacturer3-Cyclopropylbenzoic acid price3-Cyclopropylbenzoic acid structure3-Cyclopropylbenzoic acid SDSbuy 3-Cyclopropylbenzoic acid3-Cyclopropylbenzoic acid supplier3-Cyclopropylbenzoic acid uses3-Cyclopropylbenzoic acid molecular weightprice of 3-Cyclopropylbenzoic acid3-Cyclopropylbenzoic acid chemical name formula of 3-Cyclopropylbenzoic acid
This product is not sold in the region.
Confirm
How to get a Lot Number

Lot numbers can be found on the outside label of a product:

ChemScene Label