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CS-W001157 4
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2-Methoxy-6-methylbenzoic acid

  • CAS No. 6161-65-5

  • Cat. No. CS-B1061
  • Molecule weight166.17
  • Purity≥98%
  • MDL No.MFCD00463871

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

2-Methoxy-6-methylbenzoic acid|CS-B1061

Structure of 6161-65-5

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General Information

  • CAS No. 6161-65-5
  • Cat. No. CS-B1061
  • Purity ≥98%
  • MDL No. MFCD00463871
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₃
  • Molecular Weight 166.17
  • Synonym(s) 2-Methyl-6-methoxybenzoic acid
  • SMILES O=C(O)C1=C(C)C=CC=C1OC

Description

2-Methoxy-6-methylbenzoic acid features a methyl group and methoxy substituent positioned ortho to the carboxylic acid, creating a sterically crowded, electron-rich aromatic core. This combination enhances solubility in organic solvents while maintaining stability under standard bench conditions. The compound serves as a valuable building block for synthesizing bioactive molecules and functionalized polymers, particularly where controlled polarity and steric profile are required.

Application

2-Methoxy-6-methylbenzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, offering predictable reactivity in esterification, amidation, and coupling reactions. Its ortho-methoxy and meta-methyl substituents provide steric and electronic modulation, enhancing functional group tolerance and facilitating purification. The compound exhibits excellent bench stability and is well-suited for scale-up in standard synthetic workflows.

Synthesis

  • Route1

    References

    • RESVERLOGIX CORP.; JOHANSSON, Jan, O.; HANSEN, Henrik, C.; CHIACCHIA, Fabrizio, S.; WONG, Norman, C.W. Patent: WO2007/16525 A2, 2007 ; Location in patent: Page/Page column 108-112 ; WO 2007/016525 A2
  • Route2
    • In-stock
      2-Methoxybenzoic acid|CS-W019888
      579-75-9
    • null|null
      74-88-4
    • ~62%
    • In-stock
      2-Methoxy-6-methylbenzoic acid|CS-B1061
      6161-65-5

    References

    • Nguyen, Thi-Huu; Chau, Nguyet Trang Thanh; Castanet, Anne-Sophie; Nguyen, Kim Phi Phung; Mortier, Jacques Journal of Organic Chemistry, 2007 , vol. 72, # 9 p. 3419 - 3429
  • Route3

    References

    • Hauser, Frank M.; Ellenberger, Suzanne R. Synthesis, 1987 , # 8 p. 723 - 724

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

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.70182
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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