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Ethyl 5-phenylisoxazole-3-carboxylate

  • CAS No. 7063-99-2

  • Cat. No. CS-0085317
  • Molecule weight217.22
  • Purity≥96%
  • MDL No.MFCD01596796

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

Ethyl 5-phenylisoxazole-3-carboxylate|CS-0085317

Structure of 7063-99-2

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General Information

  • CAS No. 7063-99-2
  • Cat. No. CS-0085317
  • Purity ≥96%
  • MDL No. MFCD01596796
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₃
  • Molecular Weight 217.22
  • Synonym(s) ETHYL 5-PHENYL-3-ISOXAZOLECARBOXYLATE
  • SMILES O=C(C1=NOC(C2=CC=CC=C2)=C1)OCC

Synthesis

  • Route1

    References

    • Cecchi, Luca; De Sarlo, Francesco; Machetti, Fabrizio European Journal of Organic Chemistry, 2006 , # 21 p. 4852 - 4860
  • Route2
    • null|null
      95080-93-6
    • null|null
      536-74-3
    • ~71%
    • Ethyl 5-phenylisoxazole-3-carboxylate|CS-0085317
      7063-99-2

    References

    • BRISTOL-MYERS SQUIBB COMPANY; DHAR, T.G. Murali; XIAO, Hai-Yun; WATTERSON, Scott Hunter; KO, Soo S.; DYCKMAN, Alaric J.; LANGEVINE, Charles M.; DAS, Jagabandhu; CHERNEY, Robert J. Patent: WO2011/59784 A1, 2011 ; Location in patent: Page/Page column 83-84 ; WO 2011/059784 A1
  • Route3
    • null|null
      88330-79-4
    • ~76%
    • Ethyl 5-phenylisoxazole-3-carboxylate|CS-0085317
      7063-99-2

    References

    • Chapal, Nicolas; McNicol, Patricia; Jette, Lucie Patent: US2006/223884 A1, 2006 ; Location in patent: Page/Page column 57 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   2.5183
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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