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CS-W001157 4
Total: USD 88.00

3-(2,6-Dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carboxylic acid

  • CAS No. 774605-58-2

  • Cat. No. CS-0214798
  • Molecule weight300.14
  • Purity≥96%
  • MDL No.None

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

3-(2,6-Dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carboxylic acid|CS-0214798

Structure of 774605-58-2

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General Information

  • CAS No. 774605-58-2
  • Cat. No. CS-0214798
  • Purity ≥96%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁Cl₂NO₃
  • Molecular Weight 300.14
  • Synonym(s) 3-(2,6-Dichlorophenyl)-5-isopropylisoxazole-4-carboxylic acid
  • SMILES CC(C)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)O

Synthesis

  • Route1
    • Methyl 3-(2,6-dichlorophenyl)-5-isopropylisoxazole-4-carboxylate|CS-M0368
      278597-28-7
    • ~88%
    • 3-(2,6-Dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carboxylic acid|CS-0214798
      774605-58-2

    References

    • Liu, Gang; Zhao, Hongyu; Serby, Michael D.; Liu, Bo; Xin, Zhili; Nelson, Lissa T.J.; Szczepankiewicz, Bruce G.; Sham, Hing L. Patent: US2006/89398 A1, 2006 ; Location in patent: Page/Page column 14 ; US 20060089398 A1
  • Route2
    • Ethyl 3-(2,6-dichlorophenyl)-5-isopropylisoxazole-4-carboxylate|CS-0523230
      774605-35-5
    • ~%
    • 3-(2,6-Dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carboxylic acid|CS-0214798
      774605-58-2

    References

    • Liu, Bo; Liu, Gang; Xin, Zhili; Serby, Micheal D.; Zhao, Hongyu; Schaefer, Verlyn G.; Falls, H. Douglas; Kaszubska, Wiweka; Collins, Christine A.; Sham, Hing L. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 20 p. 5223 - 5226

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   4.47
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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