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Methyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate

  • CAS No. 917392-54-2

  • Cat. No. CS-0321831
  • Purity≥98%
  • MDL No.MFCD16619370

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

Methyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate|CS-0321831

Structure of 917392-54-2

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General Information

  • CAS No. 917392-54-2
  • Cat. No. CS-0321831
  • Purity ≥98%
  • MDL No. MFCD16619370
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₆N₄O₂
  • Molecular Weight 320.35
  • Synonym(s) NILOTINIB EP IMPURITY G
  • SMILES CC1=C(C=C(C=C1)C(=O)OC)NC2=NC=CC(=N2)C3=CN=CC=C3

Synthesis

  • Route1
    • methyl 3-guanidino-4-methylbenzoate nitrate|CS-0569817
      1025716-99-7
    • In-stock
      3-(Dimethylamino)-1-(3-pyridinyl)-2-propene-1-one|CS-M1464
      55314-16-4
    • ~%
    • In-stock
      Methyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate|CS-0321831
      917392-54-2

    References

    • WO2008/137605 A1, ; Page/Page column 25; 26 ; WO 2008/137605 A1
  • Route2

    References

    • Kalesh, Karunakaran A.; Liu, Kai; Yao, Shao Q. Organic and Biomolecular Chemistry, 2009 , vol. 7, # 24 p. 5129 - 5136
  • Route3

    References

    • Ueda, Satoshi; Su, Mingjuan; Buchwald, Stephen L. Journal of the American Chemical Society, 2012 , vol. 134, # 1 p. 700 - 706

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   77
  • LogP   3.37722
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   4

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