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CS-W001157 4
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5,7-Di-tert-butyl-3-(4-methoxyphenyl)benzo[d]oxazol-3-ium tetrafluoroborate

  • CAS No. 2750161-86-3

  • Cat. No. CS-0750259
  • Purity≥98%
  • MDL No.None

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

5,7-Di-tert-butyl-3-(4-methoxyphenyl)benzo[d]oxazol-3-ium tetrafluoroborate|CS-0750259

Structure of 2750161-86-3

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General Information

  • CAS No. 2750161-86-3
  • Cat. No. CS-0750259
  • Purity ≥98%
  • MDL No. None
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₂H₂₈BF₄NO₂
  • Molecular Weight 425.27
  • Synonym(s) None
  • SMILES F[B-](F)(F)F.COC1=CC=C(C=C1)[N+]1=COC2=C(C=C(C=C12)C(C)(C)C)C(C)(C)C

Description

This benzo[d]oxazolium salt features a sterically shielded core with electron-donating methoxy and tert-butyl groups, enhancing stability and solubility in organic media. The tetrafluoroborate counterion enables efficient handling and reactivity in catalytic transformations, particularly in C–H functionalization and photoredox processes.

Application

5,7-Di-tert-butyl-3-(4-methoxyphenyl)benzo[d]oxazol-3-ium tetrafluoroborate serves as a stable, bench-ready benzoxazolium salt that facilitates efficient C–H functionalization and transition-metal-catalyzed cross-coupling reactions. Its electron-rich aryl substituent and sterically protected framework enhance solubility and reaction selectivity, enabling robust coupling with diverse nucleophiles under mild conditions. The tetrafluoroborate counterion ensures excellent handling and compatibility in standard synthetic workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   26.25
  • LogP   6.6131
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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