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CS-W001157 4
Total: USD 88.00

2-Formyl-5-methoxybenzoic acid

  • CAS No. 4785-56-2

  • Cat. No. CS-0043218
  • Purity≥98%
  • MDL No.MFCD06739603

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

2-Formyl-5-methoxybenzoic acid|CS-0043218

Structure of 4785-56-2

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General Information

  • CAS No. 4785-56-2
  • Cat. No. CS-0043218
  • Purity ≥98%
  • MDL No. MFCD06739603
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₄
  • Molecular Weight 180.16
  • Synonym(s) 2-formyl-5-methoxy-benzoic Acid
  • SMILES O=C(O)C1=CC(OC)=CC=C1C=O

Synthesis

  • Route1
    • 6-Methoxyisobenzofuran-1(3H)-one|CS-0332108
      4741-63-3
    • ~89%
    • 2-Formyl-5-methoxybenzoic acid|CS-0043218
      4785-56-2

    References

    • Koeberle, Solveigh C.; Fischer, Stefan; Schollmeyer, Dieter; Schattel, Verena; Gruetter, Christian; Rauh, Daniel; Laufer, Stefan A. Journal of Medicinal Chemistry, 2012 , vol. 55, # 12 p. 5868 - 5877
  • Route2

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; CHEN, Zhidong; DE LOMBAERT, Stephane; DINES, Jonathon, Alan; LIU, Weimin; LO, Ho Yin; LOKE, Pui Leng Patent: WO2012/58254 A1, 2012 ; Location in patent: Page/Page column 50 ; WO 2012/058254 A1
  • Route3
    • 3-Bromo-6-methoxyisobenzofuran-1(3H)-one|CS-0530049
      40125-47-1
    • ~%
    • 2-Formyl-5-methoxybenzoic acid|CS-0043218
      4785-56-2

    References

    • Abaev, Vladimir T.; Dmitriev, Artem S.; Gutnov, Andrey V.; Podelyakin, Sergey A.; Butin, Alexander V. Journal of Heterocyclic Chemistry, 2006 , vol. 43, # 5 p. 1195 - 1204

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.2059
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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