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CS-W001157 4
Total: USD 88.00

4-Chloro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine

  • CAS No. 30129-53-4

  • Cat. No. CS-W022159
  • Purity≥98%
  • MDL No.MFCD10697160

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

4-Chloro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine|CS-W022159

Structure of 30129-53-4

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General Information

  • CAS No. 30129-53-4
  • Cat. No. CS-W022159
  • Purity ≥98%
  • MDL No. MFCD10697160
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅ClN₄
  • Molecular Weight 168.58
  • Synonym(s) 1H-Pyrazol[3,4-D] pyrimidine, 4-chloro-6-methyl-
  • SMILES CC1=NC2=C(C=NN2)C(Cl)=N1

Synthesis

  • Route1
    • 6-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one|CS-0152738
      30129-57-8
    • ~%
    • 4-Chloro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine|CS-W022159
      30129-53-4

    References

    • Journal of Organic Chemistry, , vol. 23, p. 191,195
  • Route2

    References

    • Smith, Adrian L.; D'Angelo, Noel D.; Bo, Yunxin Y.; Booker, Shon K.; Cee, Victor J.; Herberich, Brad; Hong, Fang-Tsao; Jackson, Claire L. M.; Lanman, Brian A.; Liu, Longbin; Nishimura, Nobuko; Pettus, Liping H.; Reed, Anthony B.; Tadesse, Seifu; Tamayo, Nuria A.; Wurz, Ryan P.; Yang, Kevin; Andrews, Kristin L.; Whittington, Douglas A.; McCarter, John D.; Miguel, Tisha San; Zalameda, Leeanne; Jiang, Jian; Subramanian, Raju; Mullady, Erin L.; Caenepeel, Sean; Freeman, Daniel J.; Wang, Ling; Zhang, Nancy; Wu, Tian; Hughes, Paul E.; Norman, Mark H. Journal of Medicinal Chemistry, 2012 , vol. 55, # 11 p. 5188 - 5219
  • Route3
    • 4,6-Dichloro-2-methylpyrimidine Dasatinib Impurity|CS-0228905
      1780-26-3
    • ~%
    • 4-Chloro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine|CS-W022159
      30129-53-4

    References

    • Journal of Medicinal Chemistry, , vol. 55, # 11 p. 5188 - 5219

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.46
  • LogP   1.31472
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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