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CS-W001157 4
Total: USD 88.00

1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

  • CAS No. 886547-94-0

  • Cat. No. CS-B0525
  • Purity≥97%
  • MDL No.MFCD09999194

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

1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine|CS-B0525

Structure of 886547-94-0

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General Information

  • CAS No. 886547-94-0
  • Cat. No. CS-B0525
  • Purity ≥97%
  • MDL No. MFCD09999194
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₁BN₂O₄S
  • Molecular Weight 384.26
  • Synonym(s) 1-(Phenylsulfonyl)-7-azaindole-3-boronicacidpinacolester
  • SMILES O=S(N(C1=NC=CC=C12)C=C2B(OC(C)3C)OC3(C)C)(C4=CC=CC=C4)=O

Synthesis

  • Route1
    • 1-Benzenesulfonyl-3-iodo-1H-pyrrolo[2,3-b]pyridine|CS-0004202
      887115-53-9
    • In-stock
      Bis(pinacolato)diborane|CS-D1216
      73183-34-3
    • ~97%
    • In-stock
      1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine|CS-B0525
      886547-94-0

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2007/76423 A2, 2007 ; Location in patent: Page/Page column 53 ; WO 2007/076423 A2
  • Route2
    • 3-Bromo-1-phenylsulfonyl-7-azaindole|CS-B0526
      880769-95-9
    • In-stock
      Bis(pinacolato)diborane|CS-D1216
      73183-34-3
    • ~91%
    • In-stock
      1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine|CS-B0525
      886547-94-0

    References

    • Huang, Shenlin; Li, Ronghua; Connolly, Peter J.; Emanuel, Stuart; Middleton, Steven A. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 18 p. 4818 - 4821
  • Route3

    References

    • US2011/257187 A1, ; US 20110257187 A1 US2011/257189 A1, ; US 20110257189 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   70.42
  • LogP   2.5725
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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