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CS-W001157 4
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(5S)​-​5,​6-​Dihydro-​5-​(phenylmethyl)​-​2-​(2,​4,​6-​trimethylphenyl)​-​8H-​1,​2,​4-​triazolo[3,​4-​c]​[1,​4]​oxazinium tetrafluoroborate

  • CAS No. 950842-73-6

  • Cat. No. CS-0087551
  • Purity≥97%
  • MDL No.None

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

(5S)​-​5,​6-​Dihydro-​5-​(phenylmethyl)​-​2-​(2,​4,​6-​trimethylphenyl)​-​8H-​1,​2,​4-​triazolo[3,​4-​c]​[1,​4]​oxazinium tetrafluoroborate|CS-0087551

Structure of 950842-73-6

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General Information

  • CAS No. 950842-73-6
  • Cat. No. CS-0087551
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₁H₂₄BF₄N₃O
  • Molecular Weight 421.24
  • Synonym(s) (5S)-5,6-dihydro-5-(phenylmethyl)-2-(2,4,6-trimethylphenyl)-8H-1,2,4-Triazolo[3,4-c][1,4]oxazinium tetrafluoroborate
  • SMILES CC1=CC(C)=CC(C)=C1[N+]2=CN3[C@@H](CC4=CC=CC=C4)COCC3=N2.FB(F)F.[F-]

Description

This bench-stable triazolo-oxazinium salt features a sterically shielded aryl group and a phenylmethyl substituent, enabling efficient coupling reactions under mild conditions. The tetrafluoroborate counterion enhances solubility in polar solvents while maintaining reactivity for synthetic applications.

Application

(5S)-5,6-Dihydro-5-(phenylmethyl)-2-(2,4,6-trimethylphenyl)-8H-1,2,4-triazolo[3,4-c][1,4]oxazinium tetrafluoroborate serves as a stable, bench-ready heterocyclic building block for the synthesis of triazolo-oxazine scaffolds. Its functional group tolerance enables efficient coupling reactions and facilitates access to complex nitrogen-containing frameworks relevant to medicinal chemistry and catalytic systems.

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

Quality Control

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Computational Chemistry Data

  • TPSA   30.93
  • LogP   1.28286
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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