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CS-W001157 4
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Diethyl 2-(((3-nitrophenyl)amino)methylene)malonate

  • CAS No. 40107-10-6

  • Cat. No. CS-0575319
  • Molecule weight308.29
  • Purity≥98%
  • MDL No.None

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

Diethyl 2-(((3-nitrophenyl)amino)methylene)malonate|CS-0575319

Structure of 40107-10-6

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General Information

  • CAS No. 40107-10-6
  • Cat. No. CS-0575319
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆N₂O₆
  • Molecular Weight 308.29
  • Synonym(s) Diethyl (3-nitrophenylaminomethylene)malonate
  • SMILES CCOC(=O)C(=CNC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCC

Synthesis

  • Route1

    References

    • Vippagunta, Sudha Rani; Dorn, Arnulf; Matile, Hugues; Bhattacharjee, Apurba K.; Karle, Jean M.; Ellis, William Y.; Ridley, Robert G.; Vennerstrom, Jonathan L. Journal of Medicinal Chemistry, 1999 , vol. 42, # 22 p. 4630 - 4639
  • Route2
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      122-51-0
    • null|null
      99-09-2
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      105-53-3
    • ~%
    • Diethyl 2-(((3-nitrophenyl)amino)methylene)malonate|CS-0575319
      40107-10-6

    References

    • Munoz, Heber; Tamariz, Joaquin; Zamora, Hector Salgado; Lazaro, Miguel; Labarrios, Fernando Synthetic Communications, 1987 , vol. 17, # 5 p. 549 - 554

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   107.77
  • LogP   2.0168
  • H_Acceptors   7
  • H_Donors   1
  • Rotatable_Bonds   7

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