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(R)-methyl 5-(2-nitro-5-(pivaloyloxymethyl)phenylamino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate

  • CAS No. 929095-36-3

  • Cat. No. CS-M0518
  • Purity≥97%
  • MDL No.None

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

(R)-methyl 5-(2-nitro-5-(pivaloyloxymethyl)phenylamino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate|CS-M0518

Structure of 929095-36-3

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General Information

  • CAS No. 929095-36-3
  • Cat. No. CS-M0518
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₇H₂₇F₃N₂O₇S
  • Molecular Weight 580.57
  • Synonym(s) Methyl 5-[(5-{[(2,2-dimethylpropanoyl)oxy]methyl}-2-nitrophenyl)a mino]-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}-2-thiophenecar boxylate
  • SMILES O=C(C(C)(C)C)OCC1=CC(NC2=CC(O[C@H](C)C3=C(C(F)(F)F)C=CC=C3)=C(C(OC)=O)S2)=C([N+]([O-])=O)C=C1

Synthesis

  • Route1
    • (R)-Methyl 5-amino-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate|CS-M0513
      929039-92-9
    • 4-Nitro-3-(trifluoromethylsulfonyloxy)benzyl pivalate|CS-M0517
      929095-35-2
    • ~84%
    • In-stock
      (R)-methyl 5-(2-nitro-5-(pivaloyloxymethyl)phenylamino)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate|CS-M0518
      929095-36-3

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2007/30361 A2, 2007 ; Location in patent: Page/Page column 45 ; WO 2007/030361 A2

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   117
  • LogP   7.4346
  • H_Acceptors   9
  • H_Donors   1
  • Rotatable_Bonds   9

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