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Dimethyl 2-(4-cyano-2-nitrophenyl)malonate

  • CAS No. 651747-69-2

  • Cat. No. CS-0514764
  • Molecule weight278.22
  • Purity≥98%
  • MDL No.MFCD07363809

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

Dimethyl 2-(4-cyano-2-nitrophenyl)malonate|CS-0514764

Structure of 651747-69-2

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General Information

  • CAS No. 651747-69-2
  • Cat. No. CS-0514764
  • Purity ≥98%
  • MDL No. MFCD07363809
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀N₂O₆
  • Molecular Weight 278.22
  • Synonym(s) dimethyl 2-(4-cyano-2-nitrophenyl)propanedioate
  • SMILES O=C(OC)C(C1=CC=C(C#N)C=C1[N+]([O-])=O)C(OC)=O

Synthesis

  • Route1

    References

    • Astellas Pharma Inc. Patent: EP2003132 A1, 2008 ; Location in patent: Page/Page column 34 ; EP 2003132 A1
  • Route2

    References

    • Roth, Gerald J.; Heckel, Armin; Colbatzky, Florian; Handschuh, Sandra; Kley, Joerg; Lehmann-Lintz, Thorsten; Lotz, Ralf; Tontsch-Grunt, Ulrike; Walter, Rainer; Hilberg, Frank Journal of Medicinal Chemistry, 2009 , vol. 52, # 14 p. 4466 - 4480

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

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Computational Chemistry Data

  • TPSA   119.53
  • LogP   0.89608
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   4

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