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CS-W001157 4
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Diethyl 2-(4-nitrobenzylidene)malonate

  • CAS No. 22399-00-4

  • Cat. No. CS-0432825
  • Molecule weight293.27
  • Purity95+%
  • MDL No.None

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

Diethyl 2-(4-nitrobenzylidene)malonate|CS-0432825

Structure of 22399-00-4

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General Information

  • CAS No. 22399-00-4
  • Cat. No. CS-0432825
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO₆
  • Molecular Weight 293.27
  • Synonym(s) Propanedioic acid, 2-[(4-nitrophenyl)Methylene]-, 1,3-diethyl ester
  • SMILES O=C(OCC)/C(C(OCC)=O)=C/C1=CC=C([N+]([O-])=O)C=C1

Synthesis

  • Route1

    References

    • Fraile, Jose M.; Garcia, Nuria; Herrerias, Clara I.; Mayoral, Jose A. Catalysis Science and Technology, 2013 , vol. 3, # 2 p. 436 - 443
  • Route2

    References

    • Zhou; Shi; Huang Synthetic Communications, 1991 , vol. 21, # 8-9 p. 1027 - 1037
  • Route3

    References

    • Shen, Yanchang; Yang, Baozhen Journal of Organometallic Chemistry, 1989 , vol. 375, p. 45 - 50

Safety Information

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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   95.74
  • LogP   2.1044
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   6

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