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CS-W001157 4
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Ethyl 3-phenylisoxazole-5-carboxylate

  • CAS No. 13599-24-1

  • Cat. No. CS-0151769
  • Purity≥97%
  • MDL No.MFCD03826509

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

Ethyl 3-phenylisoxazole-5-carboxylate|CS-0151769

Structure of 13599-24-1

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General Information

  • CAS No. 13599-24-1
  • Cat. No. CS-0151769
  • Purity ≥97%
  • MDL No. MFCD03826509
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₃
  • Molecular Weight 217.22
  • Synonym(s) ethyl 3-phenyl-5-isoxazolecarboxylate
  • SMILES CCOC(=O)C1=CC(=NO1)C2=CC=CC=C2

Synthesis

  • Route1
    • (E)-N-Hydroxybenzimidoyl chloride|CS-0269703
      81745-44-0
    • null|null
      623-47-2
    • ~40%
    • In-stock
      Ethyl 3-phenylisoxazole-5-carboxylate|CS-0151769
      13599-24-1

    References

    • KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN Randamp;;D; reMYND; GRIFFIOEN, Gerard; VAN DOOREN, Tom; ROJAS DE LA PARRA, Veronica; MARCHAND, Arnaud; ALLASIA, Sara; KILONDA, Amuri; CHALTIN, Patrick Patent: WO2010/142801 A1, 2010 ; Location in patent: Page/Page column 162-163 ; WO 2010/142801 A1
  • Route2
    • 3-Phenylisoxazole-5-carbaldehyde|CS-0085261
      72418-40-7
    • null|null
      64-17-5
    • ~63%
    • In-stock
      Ethyl 3-phenylisoxazole-5-carboxylate|CS-0151769
      13599-24-1

    References

    • Tschaen, Brittany A.; Schmink, Jason R.; Molander, Gary A. Organic Letters, 2013 , vol. 15, # 3 p. 500 - 503
  • Route3
    • In-stock
      Benzaldoxime|CS-0034180
      932-90-1
    • null|null
      623-47-2
    • ~74%
    • In-stock
      Ethyl 3-phenylisoxazole-5-carboxylate|CS-0151769
      13599-24-1

    References

    • Bhosale, Sandeep; Kurhade, Santosh; Vyas, Samir; Palle, Venkata P.; Bhuniya, Debnath Tetrahedron, 2010 , vol. 66, # 50 p. 9582 - 9588

Safety Information

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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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