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

  • CAS No. 3412-99-5

  • Cat. No. CS-0151913
  • Purity≥95%
  • MDL No.MFCD00760212

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

Diethyl 2-(((3-chlorophenyl)amino)methylene)malonate|CS-0151913

Structure of 3412-99-5

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General Information

  • CAS No. 3412-99-5
  • Cat. No. CS-0151913
  • Purity ≥95%
  • MDL No. MFCD00760212
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆ClNO₄
  • Molecular Weight 297.73
  • Synonym(s) Diethyl ((m-chloroanilino)methylene)malonate
  • SMILES CCOC(=O)C(=CNC1=CC=CC(=C1)Cl)C(=O)OCC

Synthesis

  • Route1

    References

    • Journal of Medicinal Chemistry, , vol. 50, # 22 p. 5471 - 5484
  • Route2
    • null|null
      226881-90-9
    • ~82%
    • Diethyl 2-(((3-chlorophenyl)amino)methylene)malonate|CS-0151913
      3412-99-5

    References

    • Synthetic Communications, , vol. 29, # 10 p. 1801 - 1809
  • Route3
    • null|null
      16596-00-2
    • null|null
      105-53-3
    • ~%
    • Diethyl 2-(((3-chlorophenyl)amino)methylene)malonate|CS-0151913
      3412-99-5

    References

    • Journal of the American Chemical Society, , vol. 68, p. 1255

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

Quality Control

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Computational Chemistry Data

  • TPSA   64.63
  • LogP   2.762
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   6

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