(5aS,10bR)-2-Mesityl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate

Name: (5aS,10bR)-2-Mesityl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate
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CAS No. 1061311-82-7
Cat. No. CS-0087129
Purity≥97%
MDL No.None

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(5aS,10bR)-2-Mesityl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate|CS-0087129

Structure of 1061311-82-7

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General Information

CAS No. 1061311-82-7
Cat. No. CS-0087129
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 C₂₁H₂₂BF₄N₃O
Molecular Weight 419.22
Synonym(s) 6-trimethylphenyl)-4H
SMILES CC1=CC(C)=CC(C)=C1[N+]2=CN3[C@@]4([H])[C@@](CC5=C4C=CC=C5)([H])OCC3=N2.FB(F)F.[F-]

Description

This bench-stable, moisture-tolerant triazolo-oxazine salt features a rigid, electron-deficient core that enables efficient coupling in transition-metal-catalyzed transformations. The mesityl group provides steric shielding and enhances solubility, while the tetrafluoroborate counterion ensures high reactivity and clean reaction profiles under standard conditions.

Application

(5aS,10bR)-2-Mesityl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate serves as a stable, bench-ready cationic building block for the synthesis of complex heterocyclic scaffolds. Its rigid fused framework and mesityl substituent enhance solubility and functional group tolerance, enabling efficient coupling reactions and cyclization protocols in medicinal chemistry workflows. The tetrafluoroborate counterion ensures high crystallinity and ease of purification, making it well-suited for scalable 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 30.93
LogP 1.01316
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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(5aS,10bR)-2-Mesityl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate

CAS No. 1061311-82-7

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