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CS-W001157 4
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Ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate

  • CAS No. 954230-39-8

  • Cat. No. CS-0040160
  • Molecule weight249.24
  • Purity≥98%
  • MDL No.MFCD09756447

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

Ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate|CS-0040160

Structure of 954230-39-8

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General Information

  • CAS No. 954230-39-8
  • Cat. No. CS-0040160
  • Purity ≥98%
  • MDL No. MFCD09756447
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂FNO₃
  • Molecular Weight 249.24
  • Synonym(s) ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
  • SMILES O=C(C1=C(C)ON=C1C2=CC=C(F)C=C2)OCC

Synthesis

  • Route1
    • null|null
      2723-42-4
    • In-stock
      p-Fluorobenzaldehyde oxime|CS-B1571
      459-23-4
    • ~96%
    • In-stock
      Ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate|CS-0040160
      954230-39-8

    References

    • Hoffmann-La Roche Inc.; Dott, Pascal; Grassmann, Olaf; Kammerer, Michael; Manns, Joachim; Schwitter, Urs; Thomas, Andrew; Wyttenbach, Nicole Patent: US2013/172329 A1, 2013 ; Location in patent: Paragraph 0257 ;
  • Route2

    References

    • F. HOFFMANN-LA ROCHE AG; DOTT, Pascal; GRASSMANN, Olaf; KAMMERER, Michael; MANNS, Joachim; SCHWITTER, Urs; THOMAS, Andrew; WYTTENBACH, Nicole Patent: WO2013/57124 A1, 2013 ; Location in patent: Page/Page column 33 ;
  • Route3
    • null|null
      2723-42-4
    • In-stock
      4-Fluoro-N-hydroxybenzimidoyl chloride|CS-0370814
      42202-95-9
    • ~%
    • In-stock
      Ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate|CS-0040160
      954230-39-8

    References

    • F. HOFFMANN-LA ROCHE AG; DOTT, Pascal; GRASSMANN, Olaf; KAMMERER, Michael; MANNS, Joachim; SCHWITTER, Urs; THOMAS, Andrew; WYTTENBACH, Nicole Patent: WO2013/57124 A1, 2013 ; Location in patent: Page/Page column 36 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3259
Class : 8
Packing Group : Ⅲ
Hazard Statements : H318
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   2.96582
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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