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CS-W001157 4
Total: USD 88.00

5-(4-Methylphenyl)isoxazole-3-carboxylic acid

  • CAS No. 33282-21-2

  • Cat. No. CS-0072681
  • Molecule weight203.19
  • Purity≥97%
  • MDL No.None

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

5-(4-Methylphenyl)isoxazole-3-carboxylic acid|CS-0072681

Structure of 33282-21-2

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General Information

  • CAS No. 33282-21-2
  • Cat. No. CS-0072681
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₃
  • Molecular Weight 203.19
  • Synonym(s) 5-P-Tolyl-Isoxazole-3-Carboxylic Acid
  • SMILES O=C(O)C1=NOC(C(C=C2)=CC=C2C)=C1

Synthesis

  • Route1
    • Ethyl 5-(p-tolyl)isoxazole-3-carboxylate|CS-0579437
      88958-15-0
    • ~89%
    • 5-(4-Methylphenyl)isoxazole-3-carboxylic acid|CS-0072681
      33282-21-2

    References

    • Andrzejak, Virginie; Muccioli, Giulio G.; Body-Malapel, Mathilde; El Bakali, Jamal; Djouina, Madjid; Renault, Nicolas; Chavatte, Philippe; Desreumaux, Pierre; Lambert, Didier M.; Millet, Regis Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 12 p. 3777 - 3786
  • Route2
    • null|null
      1175745-90-0
    • ~86%
    • 5-(4-Methylphenyl)isoxazole-3-carboxylic acid|CS-0072681
      33282-21-2

    References

    • Potkin; Gadzhily; Dikusar; Petkevich; Zhukovskaya; Aliev; Nagieva Russian Journal of Organic Chemistry, 2012 , vol. 48, # 1 p. 127 - 136
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 23, # 1 p. 273 - 280

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H317-H319-H334-H335
Precautionary Statements : P261-P264-P271-P272-P280-P284-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   2.34822
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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