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CS-W001157 4
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(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)boronic acid

  • CAS No. 1246765-28-5

  • Cat. No. CS-0132509
  • Purity≥95%
  • MDL No.MFCD16036561

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

(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)boronic acid|CS-0132509

Structure of 1246765-28-5

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General Information

  • CAS No. 1246765-28-5
  • Cat. No. CS-0132509
  • Purity ≥95%
  • MDL No. MFCD16036561
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BNO₄
  • Molecular Weight 192.96
  • Synonym(s) (3-Oxo-3,4-dihydro-2H-benzo[b]-[1,4]oxazin-6-yl)boronic acid
  • SMILES OB(C1=CC=C(OCC(N2)=O)C2=C1)O

Description

This boronate moiety integrates a fused oxazine scaffold, delivering enhanced stability and solubility in aqueous-organic mixtures. The electron-deficient aromatic system facilitates efficient Suzuki-Miyaura coupling under mild conditions.

Application

(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)boronic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its boronic acid functionality enables efficient Suzuki-Miyaura cross-coupling reactions under mild conditions, while the fused oxazine scaffold offers enhanced stability and orthogonal reactivity. The compound exhibits excellent bench stability, facilitates straightforward purification, and supports functional group tolerance 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-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   78.79
  • LogP   -1.3027
  • H_Acceptors   4
  • H_Donors   3
  • Rotatable_Bonds   1

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