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CS-W001157 4
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Tert-butyl 5-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole-1-carboxylate

  • CAS No. 631909-46-1

  • Cat. No. CS-0367098
  • Purity95+%
  • MDL No.None

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

Tert-butyl 5-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole-1-carboxylate|CS-0367098

Structure of 631909-46-1

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General Information

  • CAS No. 631909-46-1
  • Cat. No. CS-0367098
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₇BN₂O₄
  • Molecular Weight 358.24
  • Synonym(s) 1-Boc-5-Methyl-1H-benzimidazole-6-boronic acid pinacol ester
  • SMILES CC1=CC2=C(C=C1B3OC(C)(C)C(C)(C)O3)N(C=N2)C(=O)OC(C)(C)C

Synthesis

  • Route1
    • null|null
      631912-38-4
    • null|null
      631909-45-0
    • In-stock
      Bis(pinacolato)diborane|CS-D1216
      73183-34-3
    • ~%
    • Tert-butyl 5-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole-1-carboxylate|CS-0367098
      631909-46-1
    • Tert-butyl 6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole-1-carboxylate|CS-0454367
      631912-39-5

    References

    • 3-DIMENSIONAL PHARMACEUTICALS, INC. Patent: WO2003/99805 A1, 2003 ; Location in patent: Page 123 ;
  • Route2
    • null|null
      631912-38-4
    • null|null
      631909-45-0
    • In-stock
      DavePhos|CS-W002925
      213697-53-1
    • ~50%
    • Tert-butyl 5-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole-1-carboxylate|CS-0367098
      631909-46-1

    References

    • 3-Dimensional Pharmaceuticals, Inc. Patent: US2004/9995 A1, 2004 ;

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   62.58
  • LogP   3.42712
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   1

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