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(S)-5-Benzyl-2-phenyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate

  • CAS No. 464174-87-6

  • Cat. No. CS-B0756
  • Purity≥95%
  • MDL No.MFCD28167845

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

(S)-5-Benzyl-2-phenyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate|CS-B0756

Structure of 464174-87-6

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General Information

  • CAS No. 464174-87-6
  • Cat. No. CS-B0756
  • Purity ≥95%
  • MDL No. MFCD28167845
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₈BF₄N₃O
  • Molecular Weight 379.16
  • Synonym(s) 8H-1,2,4-Triazolo[3,4-c][1,4]oxaziniuM, 5,6-dihydro-2-phenyl-5-(phenylMethyl)-, (5S)-, tetrafluoroborate(1-)
  • SMILES FB(F)F.C12=N[N+](C3=CC=CC=C3)=CN1[C@H](COC2)CC4=CC=CC=C4.[F-]

Description

This chiral triazolo-oxazinium salt features a rigid, electron-deficient core with a benzyl and phenyl substituent at the 5- and 2-positions, respectively. The tetrafluoroborate counterion enhances solubility and stability, enabling efficient use in asymmetric synthesis and catalytic transformations under standard bench conditions.

Application

(S)-5-Benzyl-2-phenyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate serves as a stable, bench-ready building block for the synthesis of complex triazolo-oxazin scaffolds. Its cationic core enables efficient functionalization at C5 and N2 positions, while the tetrafluoroborate counterion ensures good solubility and crystallinity. This compound facilitates rapid access to biologically relevant heterocyclic architectures through nucleophilic substitution and cyclization reactions, with demonstrated 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 : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   30.93
  • LogP   0.3576
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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