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CS-W001157 4
Total: USD 88.00

(2-(Methylcarbamoyl)phenyl)boronic acid

  • CAS No. 874459-85-5

  • Cat. No. CS-0176088
  • Molecule weight178.98
  • Purity≥96%
  • MDL No.None

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

(2-(Methylcarbamoyl)phenyl)boronic acid|CS-0176088

Structure of 874459-85-5

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General Information

  • CAS No. 874459-85-5
  • Cat. No. CS-0176088
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀BNO₃
  • Molecular Weight 178.98
  • Synonym(s) 2-(Methylcarbamoyl)phenylboronic Acid
  • SMILES CNC(C1=CC=CC=C1B(O)O)=O

Description

This boronic acid features a methylcarbamoyl group ortho to the boronic acid moiety, enhancing solubility and stability in aqueous environments. The electron-withdrawing carbamoyl substituent modulates reactivity, enabling efficient Suzuki-Miyaura coupling under mild conditions. Ideal for constructing biaryl scaffolds in medicinal chemistry and materials science applications.

Application

(2-(Methylcarbamoyl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient C–C bond formation under mild conditions. Its stability, ease of handling, and tolerance to diverse functional groups make it well-suited for the synthesis of biaryl scaffolds prevalent in pharmaceutical and agrochemical research. The methylcarbamoyl group enhances solubility and offers a handle for further derivatization, supporting streamlined route design in complex molecule assembly.

Safety Information

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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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   69.56
  • LogP   -1.274
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   2

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