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CS-W001157 4
Total: USD 88.00

3-(2-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid

  • CAS No. 93041-44-2

  • Cat. No. CS-0208421
  • Molecule weight233.22
  • Purity95+%
  • MDL No.MFCD07376061

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

3-(2-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid|CS-0208421

Structure of 93041-44-2

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General Information

  • CAS No. 93041-44-2
  • Cat. No. CS-0208421
  • Purity 95+%
  • MDL No. MFCD07376061
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₄
  • Molecular Weight 233.22
  • Synonym(s) 3-(2-Methoxyphenyl)-5-methyl-2,3-dihydroisoxazole-4-carboxylic acid
  • SMILES CC1=C(C(=NO1)C2=CC=CC=C2OC)C(=O)O

Synthesis

  • Route1
    • Ethyl 3-(2-methoxyphenyl)-5-methylisoxazole-4-carboxylate|CS-0666069
      495417-30-6
    • ~99%
    • 3-(2-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid|CS-0208421
      93041-44-2

    References

    • Xin, Zhili; Zhao, Hongyu; Serby, Michael D.; Liu, Bo; Schaefer, Verlyn G.; Falls, Douglas H.; Kaszubska, Wiweka; Colins, Christine A.; Sham, Hing L.; Liu, Gang Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 4 p. 1201 - 1204
  • Route2
    • (Z)-N-hydroxy-2-methoxybenzimidoyl chloride|CS-0554995
      74467-01-9
    • ~%
    • 3-(2-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid|CS-0208421
      93041-44-2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 4 p. 1201 - 1204
  • Route3
    • 2-Methoxybenzaldehyde oxime|CS-0316247
      29577-53-5
    • ~%
    • 3-(2-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid|CS-0208421
      93041-44-2

    References

    • Tetrahedron Letters, , vol. 52, # 31 p. 4001 - 4004

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   72.56
  • LogP   2.35682
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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