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CS-W001157 4
Total: USD 88.00

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine Tofacitinib Impurity

  • CAS No. 90213-66-4

  • Cat. No. CS-0213948
  • Purity≥97%
  • MDL No.MFCD08059278

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

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine Tofacitinib Impurity|CS-0213948

Structure of 90213-66-4

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General Information

  • CAS No. 90213-66-4
  • Cat. No. CS-0213948
  • Purity ≥97%
  • MDL No. MFCD08059278
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃Cl₂N₃
  • Molecular Weight 188.01
  • Synonym(s) 4,6-Dichloro-4H-purine
  • SMILES ClC1=C2C(NC=C2)=NC(Cl)=N1

Synthesis

  • Route1
    • 7-Deazaxanthine (impurity)|CS-0655394
      39929-79-8
    • ~80%
    • 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine Tofacitinib Impurity|CS-0213948
      90213-66-4

    References

    • Xie, Hui; Zeng, Lili; Zeng, Shaogao; Lu, Xin; Zhang, Guicheng; Zhao, Xin; Cheng, Na; Tu, Zhengchao; Li, Zhiyuan; Xu, Hongjiang; Yang, Ling; Zhang, Xiquan; Huang, Min; Zhao, Junling; Hu, Wenhui European Journal of Medicinal Chemistry, 2012 , vol. 52, p. 205 - 212
  • Route2

    References

    • VALEANT RESEARCH and DEVELOPMENT Patent: WO2006/122003 A2, 2006 ; Location in patent: Page/Page column 30-31 ; WO 2006/122003 A2
  • Route3
    • null|null
      56473-10-0
    • 7-Deazaxanthine (impurity)|CS-0655394
      39929-79-8
    • ~%
    • 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine Tofacitinib Impurity|CS-0213948
      90213-66-4

    References

    • US5502187 A1, ;

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   41.57
  • LogP   2.2647
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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