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2-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole

  • CAS No. 1314216-34-6

  • Cat. No. CS-0109746
  • Purity≥97%
  • MDL No.MFCD13176536

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

2-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole|CS-0109746

Structure of 1314216-34-6

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General Information

  • CAS No. 1314216-34-6
  • Cat. No. CS-0109746
  • Purity ≥97%
  • MDL No. MFCD13176536
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉BN₂O₂
  • Molecular Weight 258.12
  • Synonym(s) 2-Methyl-1H-benzimidazole-5-boronic acid pinacol ester
  • SMILES CC1(C)C(C)(C)OB(C2=CC=C3N=C(C)NC3=C2)O1

Synthesis

  • Route1

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2007/80382 A1, 2007 ; Location in patent: Page/Page column 132 ; WO 2007/080382 A1
  • Route2

    References

    • Larsen, Matthew A.; Hartwig, John F. Journal of the American Chemical Society, 2014 , vol. 136, # 11 p. 4287 - 4299

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

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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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