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CS-W001157 4
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Diethyl 2-(((4-(trifluoromethyl)phenyl)amino)methylene)malonate

  • CAS No. 49713-39-5

  • Cat. No. CS-0327151
  • Purity≥97%
  • MDL No.None

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

Diethyl 2-(((4-(trifluoromethyl)phenyl)amino)methylene)malonate|CS-0327151

Structure of 49713-39-5

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General Information

  • CAS No. 49713-39-5
  • Cat. No. CS-0327151
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₆F₃NO₄
  • Molecular Weight 331.29
  • Synonym(s) Diethyl 2-([4-(trifluoromethyl)anilino]methylene)malonate
  • SMILES O=C(OCC)C(C(OCC)=O)=CNC1=CC=C(C(F)(F)F)C=C1

Synthesis

  • Route1

    References

    • Niedermeier, Sabine; Singethan, Katrin; Rohrer, Sebastian G.; Matz, Magnus; Kossner, Markus; Diederich, Sandra; Maisner, Andrea; Schmitz, Jens; Hiltensperger, Georg; Baumann, Knut; Holzgrabe, Ulrike; Schneider-Schaulies, Jurgen Journal of Medicinal Chemistry, 2009 , vol. 52, # 14 p. 4257 - 4265

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

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Computational Chemistry Data

  • TPSA   64.63
  • LogP   3.1274
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   6

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