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CS-W001157 4
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3-(3-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

  • CAS No. 92545-95-4

  • Cat. No. CS-0238377
  • Molecule weight237.64
  • Purity≥97%
  • MDL No.None

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

3-(3-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid|CS-0238377

Structure of 92545-95-4

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General Information

  • CAS No. 92545-95-4
  • Cat. No. CS-0238377
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈ClNO₃
  • Molecular Weight 237.64
  • Synonym(s) None
  • SMILES CC1=C(C(=NO1)C2=CC(=CC=C2)Cl)C(=O)O

Synthesis

  • Route1
    • (Z)-3-Chloro-N-hydroxybenzimidoyl chloride|CS-0898098
      29203-59-6
    • ~%
    • 3-(3-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid|CS-0238377
      92545-95-4

    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
    • 3-Chlorobenzaldehyde oxime|CS-1648378
      34158-71-9
    • ~%
    • 3-(3-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid|CS-0238377
      92545-95-4

    References

    • Hoffmann-La Roche Inc.; Dott, Pascal; Hanlon, Steven Paul; Hildbrand, Stefan; Iding, Hans; Thomas, Andrew; Waldmeier, Pius Patent: US2013/102778 A1, 2013 ;
  • Route3

    References

    • Doyle,F.P. et al. Journal of the Chemical Society, 1963 , p. 5838 - 5845

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   3.00162
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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