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CS-W001157 4
Total: USD 88.00

Diethyl 2-(((4-fluorophenyl)amino)methylene)malonate

  • CAS No. 26832-96-2

  • Cat. No. CS-0517031
  • Purity≥98%
  • MDL No.MFCD00111036

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

Diethyl 2-(((4-fluorophenyl)amino)methylene)malonate|CS-0517031

Structure of 26832-96-2

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General Information

  • CAS No. 26832-96-2
  • Cat. No. CS-0517031
  • Purity ≥98%
  • MDL No. MFCD00111036
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆FNO₄
  • Molecular Weight 281.28
  • Synonym(s) Diethyl 2-[(4-fluoroanilino)methylene]malonate
  • SMILES O=C(OCC)C(C(OCC)=O)=CNC1=CC=C(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
  • Route2
    • null|null
      40131-09-7
    • null|null
      371-40-4
    • ~97%
    • Diethyl 2-(((4-fluorophenyl)amino)methylene)malonate|CS-0517031
      26832-96-2

    References

    • Adams, Martina M.; Bats, Jan W.; Nikolaus, Nadja V.; Witvrouw, Myriam; Debyser, Zeger; Engels, Joachim W. Collection of Czechoslovak Chemical Communications, 2006 , vol. 71, # 7 p. 978 - 990
  • Route3
    • null|null
      105-53-3
    • ~%
    • Diethyl 2-(((4-fluorophenyl)amino)methylene)malonate|CS-0517031
      26832-96-2

    References

    • Cui, Sheng-Feng; Ren, Yu; Zhang, Shao-Lin; Peng, Xin-Mei; Damu, Guri L.V.; Geng, Rong-Xia; Zhou, Cheng-He Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 11 p. 3267 - 3272

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   64.63
  • LogP   2.2477
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   6

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