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CS-W001157 4
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4-Chloro-6-methyl-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine

  • CAS No. 252723-16-3

  • Cat. No. CS-0320596
  • Purity≥95%
  • MDL No.None

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

4-Chloro-6-methyl-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine|CS-0320596

Structure of 252723-16-3

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General Information

  • CAS No. 252723-16-3
  • Cat. No. CS-0320596
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀ClN₃O₂S
  • Molecular Weight 307.76
  • Synonym(s) 7-Benzenesulfonyl-4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
  • SMILES CC1=CC2=C(Cl)N=CN=C2N1S(=O)(=O)C3=CC=CC=C3

Synthesis

  • Route1
    • 7-(Benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine|CS-0050136
      186519-89-1
    • null|null
      74-88-4
    • ~92%
    • 4-Chloro-6-methyl-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine|CS-0320596
      252723-16-3

    References

    • PRINCIPIA BIOPHARMA INC.; GOLDSTEIN, David Michael Patent: WO2013/191965 A1, 2013 ; Location in patent: Page/Page column 191 ;
  • Route2
    • null|null
      98-09-9
    • 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Tofacitinib Impurity|CS-0213936
      3680-69-1
    • ~%
    • 4-Chloro-6-methyl-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine|CS-0320596
      252723-16-3

    References

    • WO2013/191965 A1, ;
  • Route3
    • null|null
      98-09-9
    • ~%
    • 4-Chloro-6-methyl-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine|CS-0320596
      252723-16-3

    References

    • WO2012/158795 A1, ; WO 2012/158795 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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   64.85
  • LogP   2.63012
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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