Tel:

Email:

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

4-Cyano-3-methylbenzoic acid

  • CAS No. 73831-13-7

  • Cat. No. CS-W003864
  • Purity≥98%
  • MDL No.MFCD14582961

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

4-Cyano-3-methylbenzoic acid|CS-W003864

Structure of 73831-13-7

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

* Please select Quantity before adding items.

General Information

  • CAS No. 73831-13-7
  • Cat. No. CS-W003864
  • Purity ≥98%
  • MDL No. MFCD14582961
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) 4-Cyan-3-methyl-benzoesaeure
  • SMILES CC1=CC(C(O)=O)=CC=C1C#N

Description

4-Cyano-3-methylbenzoic acid features a conjugated system integrating an electron-deficient nitrile group and a methyl-substituted aromatic ring, enabling robust coupling in amide bond formation. This bench-stable carboxylic acid delivers high reactivity under standard conditions, facilitating efficient synthesis of bioactive esters and pharmaceutical intermediates.

Application

4-Cyano-3-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct access to substituted benzimidazoles and other heterocyclic scaffolds via standard condensation protocols. Its orthogonal functional groups—cyano, methyl, and carboxylic acid—support diverse downstream transformations, including amidation, esterification, and metal-catalyzed cross-couplings. The compound exhibits excellent bench stability and facilitates straightforward purification by recrystallization or column chromatography, making it well-suited for high-throughput synthesis and process development workflows.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      4-Bromo-2-methylbenzonitrile|CS-W002196
      67832-11-5
    • ~73%
    • In-stock
      4-Cyano-3-methylbenzoic acid|CS-W003864
      73831-13-7

    References

    • Ferring B.V. Patent: EP1512687 A1, 2005 ; Location in patent: Page/Page column 7 ;
  • Route2
    • null|null
      748101-41-9
    • In-stock
      4-Bromo-3-methylbenzoic acid|CS-W002178
      7697-28-1
    • ~%
    • In-stock
      4-Cyano-3-methylbenzoic acid|CS-W003864
      73831-13-7

    References

    • WO2011/18170 A2, ; Page/Page column 58-59 ;
  • Route3

    References

    • Ashworth, Doreen; Pitt, Gary R W; Hudson, Peter; Yea, Christopher; Franklin, Richard J; Semple, Graeme; Jenkins, David Paul Patent: US2004/38962 A1, 2004 ;

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   61.09
  • LogP   1.5649
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 4-Cyano-3-methylbenzoic acid sigma4-Cyano-3-methylbenzoic acid manufacturer4-Cyano-3-methylbenzoic acid price4-Cyano-3-methylbenzoic acid structure4-Cyano-3-methylbenzoic acid SDSbuy 4-Cyano-3-methylbenzoic acid4-Cyano-3-methylbenzoic acid supplier4-Cyano-3-methylbenzoic acid uses4-Cyano-3-methylbenzoic acid molecular weightprice of 4-Cyano-3-methylbenzoic acid4-Cyano-3-methylbenzoic acid chemical name formula of 4-Cyano-3-methylbenzoic 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