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CS-W001157 4
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4-Iodo-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine

  • CAS No. 906092-45-3

  • Cat. No. CS-0055206
  • Purity≥98%
  • MDL No.MFCD09907940

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

4-Iodo-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine|CS-0055206

Structure of 906092-45-3

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General Information

  • CAS No. 906092-45-3
  • Cat. No. CS-0055206
  • Purity ≥98%
  • MDL No. MFCD09907940
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀IN₃O₂S
  • Molecular Weight 399.21
  • Synonym(s) 4-Iodo-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-D]pyrimidine
  • SMILES O=S(N1C=CC2=C(I)N=CN=C21)(C3=CC=C(C)C=C3)=O

Synthesis

  • Route1
    • 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine Tofacitinib Impurity|CS-0214066
      479633-63-1
    • ~86%
    • 4-Iodo-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine|CS-0055206
      906092-45-3

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2007/117494 A1, 2007 ; Location in patent: Page/Page column 62 ; WO 2007/117494 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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   64.85
  • LogP   2.58132
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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