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CS-W001157 4
Total: USD 88.00

5-(Methoxycarbonyl)-2-methylbenzoic acid

  • CAS No. 65399-17-9

  • Cat. No. CS-0179881
  • Purity≥96%
  • MDL No.MFCD20639092

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

5-(Methoxycarbonyl)-2-methylbenzoic acid|CS-0179881

Structure of 65399-17-9

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General Information

  • CAS No. 65399-17-9
  • Cat. No. CS-0179881
  • Purity ≥96%
  • MDL No. MFCD20639092
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.18
  • Synonym(s) 1,3-Benzenedicarboxylic acid, 4-methyl-, 1-methyl ester
  • SMILES O=C(C1=CC=C(C)C(C(O)=O)=C1)OC

Description

This methyl-substituted benzoic acid features a methoxycarbonyl group at the 5-position, enabling direct coupling in peptide synthesis and Suzuki-Miyaura reactions. The electron-withdrawing ester enhances reactivity while maintaining bench-stable handling under standard conditions.

Application

5-(Methoxycarbonyl)-2-methylbenzoic acid serves as a versatile building block for the synthesis of substituted benzoic acid derivatives and heterocyclic scaffolds. Its orthogonal functionality—carboxylic acid and ester groups—enables selective derivatization, while the methyl group provides a handle for further functionalization. The compound exhibits good bench stability and facilitates straightforward purification, making it suitable for use in medicinal chemistry campaigns and process development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.47982
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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