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Methyl 4-formyl-2-hydroxybenzoate

  • CAS No. 42137-51-9

  • Cat. No. CS-0160868
  • Purity≥95%
  • MDL No.MFCD24674004

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

Methyl 4-formyl-2-hydroxybenzoate|CS-0160868

Structure of 42137-51-9

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General Information

  • CAS No. 42137-51-9
  • Cat. No. CS-0160868
  • Purity ≥95%
  • MDL No. MFCD24674004
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₄
  • Molecular Weight 180.16
  • Synonym(s) Benzoic acid, 4-formyl-2-hydroxy-, methyl ester
  • SMILES O=C(OC)C1=CC=C(C=O)C=C1O

Synthesis

  • Route1
    • null|null
      71534-96-8
    • ~60%
    • Methyl 4-formyl-2-hydroxybenzoate|CS-0160868
      42137-51-9

    References

    • Zimmerman, Sommer S.; Khatri, Alpa; Garnier-Amblard, Ethel C.; Mullasseril, Praseeda; Kurtkaya, Natalie L.; Gyoneva, Stefka; Hansen, Kasper B.; Traynelis, Stephen F.; Liotta, Dennis C. Journal of Medicinal Chemistry, 2014 , vol. 57, # 6 p. 2334 - 2356
  • Route2

    References

    • N30 PHARMACEUTICALS, LLC; SUN, Xicheng; QIU, Jian Patent: WO2012/9227 A1, 2012 ; Location in patent: Page/Page column 49 ; WO 2012/009227 A1
  • Route3

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BRENNEMAN, Jehrod Burnett; GINN, John; LOWE, Michael D.; SARKO, Christopher Ronald; TASBER, Edward S.; ZHANG, Zhonghua Patent: US2014/73629 A1, 2014 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   0.9913
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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