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(1-Methyl-1H-benzo[d]imidazol-5-yl)boronic acid

  • CAS No. 1107627-21-3

  • Cat. No. CS-0176080
  • Purity≥98%
  • MDL No.None

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

(1-Methyl-1H-benzo[d]imidazol-5-yl)boronic acid|CS-0176080

Structure of 1107627-21-3

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General Information

  • CAS No. 1107627-21-3
  • Cat. No. CS-0176080
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BN₂O₂
  • Molecular Weight 175.98
  • Synonym(s) (1-Methyl-1H-benzimidazol-5-yl)boronic acid
  • SMILES CN1C=NC2=C1C=CC(B(O)O)=C2

Description

This boronate moiety integrates seamlessly into Suzuki-Miyaura cross-coupling reactions, delivering robust yields under standard conditions. The methyl-substituted benzimidazole scaffold enhances solubility and stability, enabling efficient access to functionalized heterocycles in medicinal chemistry and materials synthesis.

Application

(1-Methyl-1H-benzo[d]imidazol-5-yl)boronic acid serves as a stable, bench-ready building block for Suzuki-Miyaura cross-coupling reactions. Its ortho-directed boron functionality enables efficient construction of biaryl scaffolds and heterocyclic architectures common in medicinal chemistry. The methyl-substituted benzoimidazole core exhibits excellent functional group tolerance and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns and API intermediate development.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   58.28
  • LogP   -0.7469
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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