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CS-W001157 4
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7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole

  • CAS No. 2137501-14-3

  • Cat. No. CS-0176924
  • Purity≥95%
  • MDL No.None

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

7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole|CS-0176924

Structure of 2137501-14-3

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General Information

  • CAS No. 2137501-14-3
  • Cat. No. CS-0176924
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆BNO₃
  • Molecular Weight 245.08
  • Synonym(s) None
  • SMILES CC1(C)C(C)(C)OB(C2=C(OC=N3)C3=CC=C2)O1

Description

7-(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 mild conditions. This bench-stable reagent integrates seamlessly into C–C bond formation workflows, delivering high functional group tolerance and predictable regioselectivity in complex molecular architectures.

Application

7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole serves as a versatile boronate building block in 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 suitable for pharmaceutical and materials 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-P330-P362+P364-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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