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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 1327274-33-8

  • Cat. No. CS-0087533
  • Purity≥97%
  • MDL No.None

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

(5S)​-5,​6-​Dihydro-​2-​(2,​3,​4,​5,​6-​pentafluorophenyl)​-​5-​(phenylmethyl)​-8H-1,2,4-triazolo[3,4-c][1,4]oxazinium tetrafluoroborate|CS-0087533

Structure of 1327274-33-8

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General Information

  • CAS No. 1327274-33-8
  • Cat. No. CS-0087533
  • 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 C₁₈H₁₃BF₉N₃O
  • Molecular Weight 469.11
  • Synonym(s) (S)-5-Benzyl-2-(perfluorophenyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate
  • SMILES FC1=C(F)C(F)=C(F)C(F)=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 pentafluorophenyl group enabling enhanced electron deficiency and a phenylmethyl substituent that improves solubility. It functions as a potent electrophilic reagent in transition-metal-catalyzed cross-coupling reactions, delivering high functional group tolerance under standard conditions.

Application

(5S)-5,6-Dihydro-2-(2,3,4,5,6-pentafluorophenyl)-5-(phenylmethyl)-8H-1,2,4-triazolo[3,4-c][1,4]oxazinium tetrafluoroborate serves as a stable, bench-ready building block for constructing complex triazolo-oxazine scaffolds. Its pentafluorophenyl group enables efficient cross-coupling reactions, while the chiral triazolooxazinium core provides a rigid, functionalized platform for medicinal chemistry applications. The tetrafluoroborate counterion enhances solubility and facilitates purification.

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-P405-P501

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Computational Chemistry Data

  • TPSA   30.93
  • LogP   1.0531
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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