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CS-W001157 4
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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Tofacitinib Impurity

  • CAS No. 3680-69-1

  • Cat. No. CS-0213936
  • Purity≥98%
  • MDL No.MFCD01686865

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

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Tofacitinib Impurity|CS-0213936

Structure of 3680-69-1

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General Information

  • CAS No. 3680-69-1
  • Cat. No. CS-0213936
  • Purity ≥98%
  • MDL No. MFCD01686865
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄ClN₃
  • Molecular Weight 153.57
  • Synonym(s) None
  • SMILES ClC1=C2C(NC=C2)=NC=N1

Synthesis

  • Route1

    References

    • Heinrich, Timo; Staehle, Wolfgang; Greiner, Hartmut; Blaukat, Andree Patent: US2010/160356 A1, 2010 ; Location in patent: Page/Page column 33 ;
  • Route2
    • Butanoic acid, 2-cyano-4,4-diethoxy-, ethyl ester|CS-0653444
      52133-67-2
    • ~%
    • 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Tofacitinib Impurity|CS-0213936
      3680-69-1

    References

    • Tsytovich, A. V.; Shamshin, D. V.; Burkovskii, V. B.; Shvets, V. I. Russian Journal of Bioorganic Chemistry, 1995 , vol. 21, # 11 p. 756 - 761 Bioorganicheskaya Khimiya, 1995 , vol. 21, # 11 p. 874 - 880
  • Route3

    References

    • Diederichsen, Ulf; Schmitt, Harald W. European Journal of Organic Chemistry, 1998 , # 5 p. 827 - 835

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   1.6113
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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