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CS-W001157 4
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2-Methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

  • CAS No. 837392-54-8

  • Cat. No. CS-0051856
  • Purity≥98%
  • MDL No.None

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

2-Methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole|CS-0051856

Structure of 837392-54-8

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General Information

  • CAS No. 837392-54-8
  • Cat. No. CS-0051856
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀BNO₂
  • Molecular Weight 257.14
  • Synonym(s) 2-Methylindole-5-boronic ester
  • SMILES CC1=CC2=C(N1)C=CC(=C2)B1OC(C)(C)C(C)(C)O1

Synthesis

  • Route1

    References

    • PFIZER INC.; BROWN, Matthew Frank; CHE, Ye; MARFAT, Anthony; MELNICK, Michael Joseph; MONTGOMERY, Justin Ian; REILLY, Usa Patent: WO2011/73845 A1, 2011 ; Location in patent: Page/Page column 67 ; WO 2011/073845 A1
  • Route2
    • In-stock
      5-bromo-2-methyl-1H-indole|CS-W004633
      1075-34-9
    • null|null
      61676-62-8
    • ~49%
    • In-stock
      2-Methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole|CS-0051856
      837392-54-8

    References

    • BIOENERGENIX; MCCALL, John M.; ROMERO, Donna L.; KELLY, Robert C. Patent: WO2012/119046 A2, 2012 ; Location in patent: Page/Page column 161 ;
  • Route3
    • In-stock
      5-bromo-2-methyl-1H-indole|CS-W004633
      1075-34-9
    • null|null
      61676-62-8
    • null|null
      594-19-4
    • ~63%
    • In-stock
      2-Methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole|CS-0051856
      837392-54-8

    References

    • Betschmann, Patrick; Burchat, Andrew F.; Calderwood, David J.; Curtin, Michael L.; Davidsen, Steven K.; Davis, Heather M.; Frey, Robin R.; Heyman, Howard R.; Hirst, Gavin C.; Hrnciar, Peter; Michaelides, Michael R.; Muckey, Melanie A.; Rafferty, Paul; Wada, Carol K. Patent: US2005/26944 A1, 2005 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   34.25
  • LogP   2.77552
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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