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CS-W001157 4
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5-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole

  • CAS No. 1346808-41-0

  • Cat. No. CS-W006315
  • Purity≥95%
  • MDL No.MFCD17677234

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

5-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole|CS-W006315

Structure of 1346808-41-0

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General Information

  • CAS No. 1346808-41-0
  • Cat. No. CS-W006315
  • Purity ≥95%
  • MDL No. MFCD17677234
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆BNO₃
  • Molecular Weight 209.05
  • Synonym(s) 5-methylisoxazole-4-boronic acid pinacol ester
  • SMILES CC1(C)C(C)(C)OB(C2=C(C)ON=C2)O1

Description

5-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole is a bench-stable boronate ester featuring a methyl-substituted isoxazole core. This compound integrates seamlessly into Suzuki-Miyaura cross-coupling reactions, enabling efficient C–C bond formation under mild conditions. The sterically protected boronate moiety enhances stability and reactivity in aqueous or protic solvents.

Application

5-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole serves as a stable, bench-ready boronate building block for Suzuki-Miyaura cross-coupling reactions. The isoxazole core provides a bioisostere-relevant heterocyclic scaffold with moderate electron-withdrawing character, while the pinacol boronate group enables reliable C–C bond formation under standard catalytic conditions. Its functional group tolerance and ease of purification make it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

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   44.49
  • LogP   1.28222
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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