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(2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl)boronic acid

  • CAS No. 1016644-38-4

  • Cat. No. CS-0112563
  • Purity≥97%
  • MDL No.MFCD28804633

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

(2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl)boronic acid|CS-0112563

Structure of 1016644-38-4

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General Information

  • CAS No. 1016644-38-4
  • Cat. No. CS-0112563
  • Purity ≥97%
  • MDL No. MFCD28804633
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BNO₄
  • Molecular Weight 178.94
  • Synonym(s) 2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl-boronic acid
  • SMILES O=C1NC2=CC=C(C=C2O1)B(O)O

Description

This boronate moiety integrates seamlessly into Suzuki-Miyaura cross-coupling reactions, delivering stable aryl linkages under standard conditions. The oxazolone scaffold enhances solubility and functional group tolerance, enabling efficient derivatization in synthetic workflows.

Application

(2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl)boronic acid serves as a versatile building block for Suzuki-Miyaura coupling reactions, enabling efficient construction of biaryl and heteroaryl architectures. The oxazolone moiety provides enhanced stability and orthogonal reactivity, facilitating downstream functionalization in medicinal chemistry and materials synthesis. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical choice for complex molecule assembly.

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   86.46
  • LogP   -1.1991
  • H_Acceptors   4
  • H_Donors   3
  • Rotatable_Bonds   1

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