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CS-W001157 4
Total: USD 88.00

4-Amino-5-cyano-2-hydroxy-3-methyl-benzoic acid ethyl ester

  • CAS No. 72817-85-7

  • Cat. No. CS-M1668
  • Purity≥97%
  • MDL No.MFCD02089547

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

4-Amino-5-cyano-2-hydroxy-3-methyl-benzoic acid ethyl ester|CS-M1668

Structure of 72817-85-7

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General Information

  • CAS No. 72817-85-7
  • Cat. No. CS-M1668
  • Purity ≥97%
  • MDL No. MFCD02089547
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂N₂O₃
  • Molecular Weight 220.22
  • Synonym(s) Ethyl 4-amino-5-cyano-2-hydroxy-3-methylbenzoate
  • SMILES OC1=C(C(OCC)=O)C=C(C#N)C(N)=C1C

Synthesis

  • Route1

    References

    • Simmen, Kenneth Alan; De Kock, Herman Augustinus; Raboisson, Pierre Jean-Marie Bernard; Hu, Lili; Lindquist, Karin Charlotta; Lindstrom, Mats Stefan; Belfrage, Anna Karin Gertrud Linnea; Wahling, Horst Jurgen; Nilsson, Karl Magnus; Samuelsson, Bengt Bertil; Rosenquist, Asa Annica Kristina; Sahlberg, Sven Crister; Wallberg, Hans Kristian; Kahnberg, Pia Cecilia; Classon, Bjorn Olof Patent: US2009/118312 A1, 2009 ; Location in patent: Page/Page column 52 ;
  • Route2
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • ~59%
    • In-stock
      4-Amino-5-cyano-2-hydroxy-3-methyl-benzoic acid ethyl ester|CS-M1668
      72817-85-7

    References

    • TIBOTEC PHARMACEUTICALS LTD.; MEDIVIR AB Patent: WO2007/14926 A1, 2007 ; Location in patent: Page/Page column 127 ;

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   96.34
  • LogP   1.3312
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   2

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