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Ethyl 3-(4-bromophenyl)-5-methylisoxazole-4-carboxylate

  • CAS No. 954230-26-3

  • Cat. No. CS-0587226
  • Molecule weight310.14
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-(4-bromophenyl)-5-methylisoxazole-4-carboxylate|CS-0587226

Structure of 954230-26-3

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General Information

  • CAS No. 954230-26-3
  • Cat. No. CS-0587226
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂BrNO₃
  • Molecular Weight 310.14
  • Synonym(s) 4-Isoxazolecarboxylic acid, 3-(4-broMophenyl)-5-Methyl-, ethyl e
  • SMILES CCOC(=O)C1=C(ON=C1C2=CC=C(C=C2)Br)C

Synthesis

  • Route1

    References

    • INTERMUNE, INC.; BUCKMAN, Brad, O.; NICHOLAS, John, B.; EMAYAN, Kumaraswamy; SEIWERT, Scott, D. Patent: WO2013/25733 A1, 2013 ; Location in patent: Paragraph 0484 ;
  • Route2
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    • Ethyl 3-(4-bromophenyl)-5-methylisoxazole-4-carboxylate|CS-0587226
      954230-26-3

    References

    • INTERMUNE, INC.; BUCKMAN, Brad, O.; NICHOLAS, John, B.; EMAYAN, Kumaraswamy; SEIWERT, Scott, D. Patent: WO2013/25733 A1, 2013 ;
  • Route3

    References

    • INTERMUNE, INC.; BUCKMAN, Brad, O.; NICHOLAS, John, B.; EMAYAN, Kumaraswamy; SEIWERT, Scott, D. Patent: WO2013/25733 A1, 2013 ;

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   3.58922
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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