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CS-W001157 4
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Boronic acid, [2-fluoro-5-[(methylamino)carbonyl]phenyl]-

  • CAS No. 874289-40-4

  • Cat. No. CS-0030608
  • Purity≥98%
  • MDL No.MFCD08436028

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

Boronic acid, [2-fluoro-5-[(methylamino)carbonyl]phenyl]-|CS-0030608

Structure of 874289-40-4

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General Information

  • CAS No. 874289-40-4
  • Cat. No. CS-0030608
  • Purity ≥98%
  • MDL No. MFCD08436028
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BFNO₃
  • Molecular Weight 196.97
  • Synonym(s) (2-Fluoro-5-(methylcarbamoyl)phenyl)boronic acid
  • SMILES O=C(C1=CC=C(F)C(B(O)O)=C1)NC

Description

This boronate reagent features a para-methylcarbamoyl group flanking the boronic acid, enhancing solubility and stability. The ortho-fluoro substituent enables efficient cross-coupling under standard conditions, facilitating direct access to substituted biaryl scaffolds in medicinal chemistry workflows.

Application

2-Fluoro-5-(methylcarbamoyl)benzeneboronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl architectures. The boronic acid moiety exhibits excellent bench stability and compatibility with diverse functional groups, while the fluorine and methylcarbamoyl substituents provide orthogonal reactivity for downstream derivatization. Its defined electronic profile facilitates predictable coupling outcomes, making it a practical choice for medicinal chemistry and process development workflows.

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   69.56
  • LogP   -1.1349
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   2

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