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CS-W001157 4
Total: USD 88.00

3-Methoxysalicylic acid

  • CAS No. 877-22-5

  • Cat. No. CS-W017817
  • Purity≥98%
  • MDL No.MFCD00002445

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

3-Methoxysalicylic acid|CS-W017817

Structure of 877-22-5

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General Information

  • CAS No. 877-22-5
  • Cat. No. CS-W017817
  • Purity ≥98%
  • MDL No. MFCD00002445
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₄
  • Molecular Weight 168.15
  • Synonym(s) o-Vanillic Acid; 3-Methoxysalicylic acid
  • SMILES C1=CC=C(C(=C1C(O)=O)O)OC

Description

2-Hydroxy-3-methoxybenzoic acid was used as internal standard during the simultaneous quantification of acetylsalicylic acid and its metabolite salicylic acid in human plasma by high-performance liquid chromatography. It was used in large-scale synthesis of 7-methoxy-3(2H)-benzofuranone.

Application

3-Methoxysalicylic acid serves as a versatile building block for synthesizing bioactive heterocycles and pharmaceutical intermediates. Its ortho-hydroxy and carboxylic acid functionalities enable efficient cyclizations, metal chelation, and derivatization under standard conditions. The methoxy group enhances solubility and modulates electronic properties, while the molecule exhibits excellent bench stability and ease of purification—making it well-suited for scalable medicinal chemistry campaigns and API development workflows.

Synthesis

  • Route1

    References

    • Lim, Minkyung; Yoon, Cheol Min; An, Gwangil; Rhee, Hakjune Tetrahedron Letters, 2007 , vol. 48, # 22 p. 3835 - 3839
  • Route2

    References

    • Nishioka, Hiroyasu; Nagasawa, Masaaki; Yoshida, Kiyoshi Synthesis, 2000 , # 2 p. 243 - 246
  • Route3

    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

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   1.099
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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