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CS-W001157 4
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Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate

  • CAS No. 159427-17-5

  • Cat. No. CS-0464081
  • Purity≥98%
  • MDL No.MFCD08446408

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

Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate|CS-0464081

Structure of 159427-17-5

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General Information

  • CAS No. 159427-17-5
  • Cat. No. CS-0464081
  • Purity ≥98%
  • MDL No. MFCD08446408
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉Cl₂NO₃
  • Molecular Weight 286.11
  • Synonym(s) 5-(2,4-DICHLOROPHENYL)-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
  • SMILES CCOC(=O)C1=NOC(=C1)C2=C(C=C(C=C2)Cl)Cl

Synthesis

  • Route1
    • Ethyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate|CS-0122058
      478868-68-7
    • ~58%
    • Ethyl 5-(2,4-dichlorophenyl)isoxazole-3-carboxylate|CS-0464081
      159427-17-5

    References

    • Akbarzadeh, Tahmineh; Rafinejad, Ali; Mollaghasem, Javad Malekian; Safavi, Maliheh; Fallah-Tafti, Asal; Pordeli, Mahboobeh; Ardestani, Sussan Kabudanian; Shafiee, Abbas; Foroumadi, Alireza Archiv der Pharmazie, 2012 , vol. 345, # 5 p. 386 - 392

Safety Information

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Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   3.8251
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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