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CS-W001157 4
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Methyl 3-cyano-5-hydroxybenzoate

  • CAS No. 453565-76-9

  • Cat. No. CS-0566393
  • Purity≥98%
  • MDL No.453565-76-9

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

Methyl 3-cyano-5-hydroxybenzoate|CS-0566393

Structure of 453565-76-9

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General Information

  • CAS No. 453565-76-9
  • Cat. No. CS-0566393
  • Purity ≥98%
  • MDL No. 453565-76-9
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight 177.16
  • Synonym(s) Benzoic acid,3-cyano-5-hydroxy-,methyl ester
  • SMILES N#CC1=CC(O)=CC(C(OC)=O)=C1

Synthesis

  • Route1
    • null|null
      453565-69-0
    • ~65%
    • Methyl 3-cyano-5-hydroxybenzoate|CS-0566393
      453565-76-9

    References

    • Wagenen, Bradford Van; Stormann, Thomas M.; Moe, Scott T.; Sheehan, Susan M.; McLeod, Donald A.; Smith, Daryl L.; Isaac, Methvin Benjamin; Slassi, Abdelmalik Patent: US2003/55085 A1, 2003 ; US 20030055085 A1
  • Route2
    • null|null
      67-56-1
    • 3-Cyano-5-hydroxybenzoic acid|CS-0373299
      1163141-57-8
    • ~%
    • Methyl 3-cyano-5-hydroxybenzoate|CS-0566393
      453565-76-9

    References

    • ARENA PHARMACEUTICALS, INC. Patent: WO2009/78983 A1, 2009 ; Location in patent: Page/Page column 107 ; WO 2009/078983 A1

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   70.32
  • LogP   1.05048
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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