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

  • CAS No. 1111637-95-6

  • Cat. No. CS-0051252
  • Purity≥97%
  • MDL No.None

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

3-Methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine|CS-0051252

Structure of 1111637-95-6

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General Information

  • CAS No. 1111637-95-6
  • Cat. No. CS-0051252
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉BN₂O₂
  • Molecular Weight 258.12
  • Synonym(s) 3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-pyrrolo[2,3-B]pyridine
  • SMILES CC1=CNC2=NC=C(C=C12)B1OC(C)(C)C(C)(C)O1

Synthesis

  • Route1

    References

    • PFIZER INC. Patent: WO2009/16460 A2, 2009 ; Location in patent: Page/Page column 68 ; WO 2009/016460 A2

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   47.14
  • LogP   2.17052
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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