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CS-W001157 4
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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine

  • CAS No. 916176-50-6

  • Cat. No. CS-D0734
  • Purity≥97%
  • MDL No.MFCD09953957

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

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine|CS-D0734

Structure of 916176-50-6

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General Information

  • CAS No. 916176-50-6
  • Cat. No. CS-D0734
  • Purity ≥97%
  • MDL No. MFCD09953957
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₃BN₂O₄S
  • Molecular Weight 398.28
  • Synonym(s) 1-[(4-methylphenyl)sulphonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
  • SMILES O=S(N1C2=NC=CC(B(OC(C)3C)OC3(C)C)=C2C=C1)(C(C=C4)=CC=C4C)=O

Synthesis

  • Route1

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2006/127587 A1, 2006 ; Location in patent: Page/Page column 86 ; WO 2006/127587 A1
  • Route2

    References

    • US2011/306613 A1, ;
  • Route3

    References

    • US2011/306613 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

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Computational Chemistry Data

  • TPSA   70.42
  • LogP   2.88092
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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