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CS-W001157 4
Total: USD 88.00

Ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate

  • CAS No. 83817-51-0

  • Cat. No. CS-0580025
  • Molecule weight283.68
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate|CS-0580025

Structure of 83817-51-0

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General Information

  • CAS No. 83817-51-0
  • Cat. No. CS-0580025
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁ClFNO₃
  • Molecular Weight 283.68
  • Synonym(s) None
  • SMILES CCOC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)F)C

Synthesis

  • Route1
    • null|null
      51088-25-6
    • null|null
      1007476-32-5
    • ~67%
    • Ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate|CS-0580025
      83817-51-0

    References

    • 4SC Discovery GmbH Patent: US2012/196862 A1, 2012 ; Location in patent: Page/Page column 11; 13-14 ;
  • Route2

    References

    • 4SC Discovery GmbH Patent: US2012/196861 A1, 2012 ;
  • Route3
    • (E)-2-Chloro-6-fluorobenzaldehyde oxime|CS-0077014
      1391943-03-5
    • ~%
    • Ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate|CS-0580025
      83817-51-0

    References

    • 4SC Discovery GmbH Patent: US2012/196861 A1, 2012 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   3.61922
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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