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CS-W001157 4
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tert-Butyl 5-bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

  • CAS No. 916326-31-3

  • Cat. No. CS-0415925
  • Purity95+%
  • MDL No.MFCD13183733

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

tert-Butyl 5-bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine-1-carboxylate|CS-0415925

Structure of 916326-31-3

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General Information

  • CAS No. 916326-31-3
  • Cat. No. CS-0415925
  • Purity 95+%
  • MDL No. MFCD13183733
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁BrIN₃O₂
  • Molecular Weight 424.03
  • Synonym(s) 1H-Pyrazolo[3,4-b]pyridine-1-carboxylic acid, 5-broMo-3-iodo-, 1,1-diMethylethyl ester
  • SMILES O=C(N1N=C(I)C2=CC(Br)=CN=C21)OC(C)(C)C

Synthesis

  • Route1

    References

    • JANSSEN PHARMACEUTICA, N.V. Patent: WO2006/130673 A1, 2006 ; Location in patent: Page/Page column 86-87 ; WO 2006/130673 A1
  • Route2

    References

    • Huang, Shenlin; Lin, Ronghui; Yu, Yang; Lu, Yanhua; Connolly, Peter J.; Chiu, George; Li, Shengjian; Emanuel, Stuart L.; Middleton, Steven A. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 5 p. 1243 - 1245
  • Route3

    References

    • Huang, Shenlin; Lin, Ronghui; Yu, Yang; Lu, Yanhua; Connolly, Peter J.; Chiu, George; Li, Shengjian; Emanuel, Stuart L.; Middleton, Steven A. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 5 p. 1243 - 1245

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   57.01
  • LogP   3.5816
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   0

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