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CS-W001157 4
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6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole

  • CAS No. 1810038-58-4

  • Cat. No. CS-0132502
  • Purity≥97%
  • MDL No.MFCD13181969

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

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole|CS-0132502

Structure of 1810038-58-4

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General Information

  • CAS No. 1810038-58-4
  • Cat. No. CS-0132502
  • Purity ≥97%
  • MDL No. MFCD13181969
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆BNO₃
  • Molecular Weight 245.08
  • Synonym(s) 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
  • SMILES CC1(C)C(C)(C)OB(C2=CC=C3N=COC3=C2)O1

Description

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole features a boronate ester group enabling reliable Suzuki-Miyaura coupling under standard conditions. This bench-stable reagent integrates readily into complex molecular architectures, offering efficient access to functionalized heterocycles with enhanced solubility and predictable reactivity profiles.

Application

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole serves as a robust boronate building block for palladium-catalyzed cross-coupling reactions. Its stability under ambient conditions and compatibility with diverse functional groups enable reliable C–C bond formation in complex molecule synthesis. The benzo[d]oxazole core provides a rigid, electron-deficient scaffold valuable 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   2.127
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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