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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 93041-45-3

  • Cat. No. CS-0122414
  • Molecule weight233.22
  • Purity≥97%
  • MDL No.MFCD03407357

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

3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid|CS-0122414

Structure of 93041-45-3

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General Information

  • CAS No. 93041-45-3
  • Cat. No. CS-0122414
  • Purity ≥97%
  • MDL No. MFCD03407357
  • 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-(4-METHOXYPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID
  • SMILES O=C(C1=C(C)ON=C1C2=CC=C(OC)C=C2)O

Synthesis

  • Route1
    • Ethyl 3-(4-methoxyphenyl)-5-methylisoxazole-4-carboxylate|CS-0314763
      495417-31-7
    • ~%
    • 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid|CS-0122414
      93041-45-3

    References

    • Nakamura, Masayuki; Kurihara, Hideki; Suzuki, Gentaroh; Mitsuya, Morihiro; Ohkubo, Mitsuru; Ohta, Hisashi Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 2 p. 726 - 729
  • Route2
    • null|null
      92961-55-2
    • ~%
    • 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid|CS-0122414
      93041-45-3

    References

    • Doyle,F.P. et al. Journal of the Chemical Society, 1963 , p. 5845 - 5854
  • Route3
    • null|null
      92029-68-0
    • ~%
    • 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid|CS-0122414
      93041-45-3

    References

    • Doyle,F.P. et al. Journal of the Chemical Society, 1963 , p. 5845 - 5854

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

Quality Control

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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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