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CS-W001157 4
Total: USD 88.00

4-Methoxy-2,6-dimethylbenzoic acid

  • CAS No. 37934-89-7

  • Cat. No. CS-0094401
  • Purity≥98%
  • MDL No.MFCD01194287

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

4-Methoxy-2,6-dimethylbenzoic acid|CS-0094401

Structure of 37934-89-7

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General Information

  • CAS No. 37934-89-7
  • Cat. No. CS-0094401
  • Purity ≥98%
  • MDL No. MFCD01194287
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) benzoic acid, 4-methoxy-2,6-dimethyl-
  • SMILES O=C(O)C1=C(C)C=C(OC)C=C1C

Description

4-Methoxy-2,6-dimethylbenzoic acid features a sterically hindered aromatic core with electron-donating methoxy and methyl groups that enhance solubility and stability. This bench-stable carboxylic acid integrates readily into coupling reactions and serves as a key building block in pharmaceutical and agrochemical synthesis.

Application

4-Methoxy-2,6-dimethylbenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis. Its electron-rich aromatic core, combined with orthogonal functional groups—methoxy, methyl, and carboxylic acid—enables selective derivatization via esterification, amidation, or coupling reactions. The steric hindrance from the 2,6-dimethyl substitution enhances stability and facilitates purification, making it suitable for scale-up and routine bench use.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      2-Bromo-5-methoxy-1,3-dimethylbenzene|CS-W021621
      6267-34-1
    • ~93%
    • In-stock
      4-Methoxy-2,6-dimethylbenzoic acid|CS-0094401
      37934-89-7

    References

    • Tachdjian, Catherine; Patron, Andrew P.; Adamski-Werner, Sara L.; Bakir, Farid; Chen, Qing; Darmohusodo, Vincent; Hobson, Stephen Terrence; Li, Xiaodong; Qi, Ming; Rogers, Daniel Harry; Rinnova, Marketa; Servant, Guy; Tang, Xiao-Qing; Zoller, Mark; Wallace, David; Xing, Amy; Gubernator, Klaus Patent: US2005/84506 A1, 2005 ; Location in patent: Page/Page column 97 ; US 20050084506 A1
  • Route2

    References

    • Fuson; Corse; Welldon Journal of the American Chemical Society, 1941 , vol. 63, p. 2645
  • Route3

    References

    • Bhattacharya, Kalyan K.; Pal, Panchanan; Ghosh, Kalpana; Sen, P. K. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1980 , vol. 19, # 3 p. 191 - 194

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   46.53
  • LogP   2.01024
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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