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CS-W001157 4
Total: USD 88.00

5-Phenylisoxazol-3-amine

  • CAS No. 6455-31-8

  • Cat. No. CS-0104853
  • Purity≥98%
  • MDL No.None

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

5-Phenylisoxazol-3-amine|CS-0104853

Structure of 6455-31-8

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General Information

  • CAS No. 6455-31-8
  • Cat. No. CS-0104853
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O
  • Molecular Weight 160.17
  • Synonym(s) Isoxazole, 3-amino-5-phenyl-
  • SMILES NC1=NOC(C2=CC=CC=C2)=C1

Synthesis

  • Route1

    References

    • Rowbottom, Martin W.; Faraoni, Raffaella; Chao, Qi; Campbell, Brian T.; Lai, Andiliy G.; Setti, Eduardo; Ezawa, Maiko; Sprankle, Kelly G.; Abraham, Sunny; Tran, Lan; Struss, Brian; Gibney, Michael; Armstrong, Robert C.; Gunawardane, Ruwanthi N.; Nepomuceno, Ronald R.; Valenta, Ianina; Hua, Helen; Gardner, Michael F.; Cramer, Merryl D.; Gitnick, Dana; Insko, Darren E.; Apuy, Julius L.; Jones-Bolin, Susan; Ghose, Arup K.; Herbertz, Torsten; Ator, Mark A.; Dorsey, Bruce D.; Ruggeri, Bruce; Williams, Michael; Bhagwat, Shripad; James, Joyce; Holladay, Mark W. Journal of Medicinal Chemistry, 2012 , vol. 55, # 3 p. 1082 - 1105
  • Route2
    • null|null
      1311369-43-3
    • ~32%
    • 5-Phenylisoxazol-3-amine|CS-0104853
      6455-31-8

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOYER, Stephen, James; GAO, Donghong, Amy; GUO, Xin; KIRRANE, Thomas, Martin, Jr.; SARKO, Christopher, Ronald; SNOW, Roger, John; SOLEYMANZADEH, Fariba; ZHANG, Yunlong Patent: WO2011/71716 A1, 2011 ; Location in patent: Page/Page column 93 ; WO 2011/071716 A1
  • Route3
    • null|null
      71854-39-2
    • ~90%
    • 5-Phenylisoxazol-3-amine|CS-0104853
      6455-31-8

    References

    • Sugai; Sato; Kataoka; et al. Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 2 p. 530 - 537

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.05
  • LogP   1.9238
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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