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CS-W001157 4
Total: USD 88.00

B-4-Isoxazolylboronic acid

  • CAS No. 1008139-25-0

  • Cat. No. CS-W009168
  • Purity≥97%
  • MDL No.MFCD06657892

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

B-4-Isoxazolylboronic acid|CS-W009168

Structure of 1008139-25-0

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General Information

  • CAS No. 1008139-25-0
  • Cat. No. CS-W009168
  • Purity ≥97%
  • MDL No. MFCD06657892
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₄BNO₃
  • Molecular Weight 112.88
  • Synonym(s) Isoxazol-4-ylboronic acid; Isoxazole-4-boronic acid
  • SMILES OB(C1=CON=C1)O

Description

B-4-Isoxazolylboronic acid features a boronic acid moiety fused to an isoxazole ring, delivering a stable, electron-deficient platform for Suzuki-Miyaura cross-coupling. This configuration enables efficient integration into complex heterocyclic architectures under mild reaction conditions.

Application

B-4-Isoxazolylboronic acid serves as a versatile building block for constructing isoxazole-containing scaffolds via Suzuki-Miyaura cross-coupling. Its stability under ambient conditions and compatibility with diverse functional groups enable reliable incorporation into complex molecular architectures. The boronic acid moiety facilitates efficient coupling with aryl, heteroaryl, and vinyl halides, making it a practical reagent for medicinal chemistry and process development workflows.

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   66.49
  • LogP   -1.6456
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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