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CS-W001157 4
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Ethyl 5-(3-chlorophenyl)isoxazole-3-carboxylate

  • CAS No. 657424-77-6

  • Cat. No. CS-0524803
  • Purity≥98%
  • MDL No.MFCD11113556

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

Ethyl 5-(3-chlorophenyl)isoxazole-3-carboxylate|CS-0524803

Structure of 657424-77-6

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General Information

  • CAS No. 657424-77-6
  • Cat. No. CS-0524803
  • Purity ≥98%
  • MDL No. MFCD11113556
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀ClNO₃
  • Molecular Weight 251.67
  • Synonym(s) 5-(3-CHLOROPHENYL)-ISOXAZOLE-3 CARBOXYLIC ACID ETHYL ESTER
  • SMILES O=C(C1=NOC(C2=CC=CC(Cl)=C2)=C1)OCC

Synthesis

  • Route1
    • Ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate|CS-0453861
      57961-48-5
    • ~82%
    • Ethyl 5-(3-chlorophenyl)isoxazole-3-carboxylate|CS-0524803
      657424-77-6

    References

    • ASTRAZENECA AB; AaSTROeM, Hans; JONES, Elfyn Patent: WO2010/71558 A1, 2010 ; Location in patent: Page/Page column 12 ;
  • Route2

    References

    • ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2004/14881 A2, 2004 ; Location in patent: Page 158 ; WO 2004/014881 A2
  • Route3

    References

    • BRISTOL-MYERS SQUIBB COMPANY; GILMORE, John L.; SHEPPECK, James E. Patent: WO2011/17578 A1, 2011 ; Location in patent: Page/Page column 172 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   3.1717
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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