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

  • CAS No. 851524-90-8

  • Cat. No. CS-0051254
  • 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-indole|CS-0051254

Structure of 851524-90-8

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General Information

  • CAS No. 851524-90-8
  • Cat. No. CS-0051254
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀BNO₂
  • Molecular Weight 257.14
  • Synonym(s) 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-indole
  • SMILES CC1=CNC2=C1C=C(C=C2)B1OC(C)(C)C(C)(C)O1

Synthesis

  • Route1

    References

    • Purandare, Ashok Vinayak; Wan, Honghe; Huynh, Tram N. Patent: US2006/235037 A1, 2006 ; Location in patent: Page/Page column 50 ; US 20060235037 A1
  • Route2

    References

    • BIOENERGENIX; MCCALL, John M.; ROMERO, Donna L.; KELLY, Robert C. Patent: WO2012/119046 A2, 2012 ;
  • Route3

    References

    • BIOENERGENIX; MCCALL, John M.; ROMERO, Donna L.; KELLY, Robert C. Patent: WO2012/119046 A2, 2012 ;

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

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