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CS-W001157 4
Total: USD 88.00

N4-benzyl-6-chloropyrimidine-4,5-diamine

  • CAS No. 15948-97-7

  • Cat. No. CS-0560487
  • Molecule weight234.68
  • Purity≥98%
  • MDL No.None

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

N4-benzyl-6-chloropyrimidine-4,5-diamine|CS-0560487

Structure of 15948-97-7

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General Information

  • CAS No. 15948-97-7
  • Cat. No. CS-0560487
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁ClN₄
  • Molecular Weight 234.68
  • Synonym(s) None
  • SMILES C1=CC=C(C=C1)CNC2=C(C(=NC=N2)Cl)N

Synthesis

  • Route1

    References

    • Bristol-Myers Squibb Pharma Company Patent: US6362180 B1, 2002 ; Location in patent: Example 2 ; US 6362180 B1
  • Route2
    • N-benzyl-6-chloro-5-nitropyrimidin-4(3H)-imine|CS-0322946
      54413-44-4
    • ~63%
    • N4-benzyl-6-chloropyrimidine-4,5-diamine|CS-0560487
      15948-97-7

    References

    • Baraldi, Pier Giovanni; Broceta, Asier Unciti; Infantas, Maria Jose Pineda De Las; Mochun, Juan Jose Diaz; Espinosa, Antonio; Romagnoli, Romeo Tetrahedron, 2002 , vol. 58, # 38 p. 7607 - 7611
  • Route3
    • null|null
      100-46-9
    • ~%
    • N4-benzyl-6-chloropyrimidine-4,5-diamine|CS-0560487
      15948-97-7

    References

    • Baraldi, Pier Giovanni; Broceta, Asier Unciti; Infantas, Maria Jose Pineda De Las; Mochun, Juan Jose Diaz; Espinosa, Antonio; Romagnoli, Romeo Tetrahedron, 2002 , vol. 58, # 38 p. 7607 - 7611

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   63.83
  • LogP   2.3243
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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