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CS-W001157 4
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Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate

  • CAS No. 81282-12-4

  • Cat. No. CS-0580064
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate|CS-0580064

Structure of 81282-12-4

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General Information

  • CAS No. 81282-12-4
  • Cat. No. CS-0580064
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀ClNO₃
  • Molecular Weight 251.67
  • Synonym(s) 5-(4-chloro-phenyl)-isoxazole-3-carboxylic acid ethyl ester
  • SMILES CCOC(=O)C1=NOC(=C1)C2=CC=C(C=C2)Cl

Synthesis

  • Route1

    References

    • Dawood, Kamal M.; Abdel-Gawad, Hassan; Mohamed, Hanan A.; Badria, Farid A. Medicinal Chemistry Research, 2011 , vol. 20, # 7 p. 912 - 919
  • Route2

    References

    • US4322429 A1, ;
  • Route3
    • Ethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate|CS-0467108
      91393-54-3
    • ~78%
    • In-stock
      Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate|CS-0580064
      81282-12-4

    References

    • Kadzhaeva; Trofimova; Fedotov; Potekhin; Gazzaeva; Mochalov; Zefirov Chemistry of Heterocyclic Compounds, 2009 , vol. 45, # 5 p. 595 - 605

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   52.33
  • LogP   3.1717
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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