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Methyl 3-(2,6-dichlorophenyl)-5-isopropylisoxazole-4-carboxylate

  • CAS No. 278597-28-7

  • Cat. No. CS-M0368
  • Molecule weight314.16
  • Purity≥98%
  • MDL No.MFCD07779211

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

Methyl 3-(2,6-dichlorophenyl)-5-isopropylisoxazole-4-carboxylate|CS-M0368

Structure of 278597-28-7

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General Information

  • CAS No. 278597-28-7
  • Cat. No. CS-M0368
  • Purity ≥98%
  • MDL No. MFCD07779211
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃Cl₂NO₃
  • Molecular Weight 314.16
  • Synonym(s) methyl 3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carboxylate
  • SMILES O=C(OC)C1=C(C(C)C)ON=C1C(C(Cl)=CC=C2)=C2Cl

Synthesis

  • Route1

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2004/48349 A1, 2004 ; Location in patent: Page 46 ; WO 2004/048349 A1
  • Route2

    References

    • Maloney; Parks; Haffner; Fivush; Chandra; Plunket; Creech; Moore; Wilson; Lewis; Jones; Willson Journal of Medicinal Chemistry, 2000 , vol. 43, # 16 p. 2971 - 2974
  • Route3

    References

    • Maloney; Parks; Haffner; Fivush; Chandra; Plunket; Creech; Moore; Wilson; Lewis; Jones; Willson Journal of Medicinal Chemistry, 2000 , vol. 43, # 16 p. 2971 - 2974

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

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   4.5584
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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