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(R)-Methyl 5-nitro-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate

  • CAS No. 929039-94-1

  • Cat. No. CS-M0512
  • Purity≥98%
  • MDL No.MFCD19443194

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

(R)-Methyl 5-nitro-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate|CS-M0512

Structure of 929039-94-1

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General Information

  • CAS No. 929039-94-1
  • Cat. No. CS-M0512
  • Purity ≥98%
  • MDL No. MFCD19443194
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₂F₃NO₅S
  • Molecular Weight 375.32
  • Synonym(s) 2-Thiophenecarboxylic acid, 5-nitro-3-[(1R)-1-[2-(trifluoroMethyl)phenyl]ethoxy]-, Methyl ester
  • SMILES O=C(OC)C(SC([N+]([O-])=O)=C1)=C1O[C@H](C)C2=C(C(F)(F)F)C=CC=C2

Synthesis

  • Route1

    References

    • Hornberger, Keith R.; Badiang, Jennifer G.; Salovich, James M.; Kuntz, Kevin W.; Emmitte, Kyle A.; Cheung, Mui Tetrahedron Letters, 2008 , vol. 49, # 44 p. 6348 - 6351

Safety Information

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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   78.67
  • LogP   4.6017
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   5

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