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methyl 2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanoate

  • CAS No. 913849-17-9

  • Cat. No. CS-0000125
  • Purity≥98%
  • MDL No.MFCD11042328

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

methyl 2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanoate|CS-0000125

Structure of 913849-17-9

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General Information

  • CAS No. 913849-17-9
  • Cat. No. CS-0000125
  • Purity ≥98%
  • MDL No. MFCD11042328
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂F₃NO₃
  • Molecular Weight 263.21
  • Synonym(s) Ethyl 2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanoate
  • SMILES O=C(OC)C(C)(C)OC(N=C1)=CC=C1C(F)(F)F

Synthesis

  • Route1

    References

    • CADILA HEALTHCARE LIMITED; SHRIVASTAVA, Brijesh Kumar Patent: WO2012/14221 A1, 2012 ; Location in patent: Page/Page column 15-16 ; WO 2012/014221 A1
  • Route2

    References

    • MERCK and CO., INC. Patent: WO2007/136571 A1, 2007 ; Location in patent: Page/Page column 44-45 ; WO 2007/136571 A1

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   48.42
  • LogP   2.4308
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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