6,7-Dihydro-2-(2,4,6-trimethylphenyl)-5HPyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate

Name: 6,7-Dihydro-2-(2,4,6-trimethylphenyl)-5HPyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate
Brand: ChemScene
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CAS No. 862893-80-9
Cat. No. CS-0088746
Purity≥97%
MDL No.None

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6,7-Dihydro-2-(2,4,6-trimethylphenyl)-5HPyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate|CS-0088746

Structure of 862893-80-9

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General Information

CAS No. 862893-80-9
Cat. No. CS-0088746
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 C₁₄H₁₈BF₄N₃
Molecular Weight 315.12
Synonym(s) 2-Mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate
SMILES CC1=CC(C)=CC(C)=C1[N+]2=CN(CCC3)C3=N2.FB(F)F.[F-]

Description

6,7-Dihydro-2-(2,4,6-trimethylphenyl)-5H-pyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate features a sterically shielded aryl substituent that enhances stability and solubility in polar solvents. The tetrafluoroborate counterion improves crystallinity and facilitates handling under standard bench conditions. This cationic heterocycle integrates readily into catalytic systems requiring robust, electron-deficient platforms for transition-metal-free transformations.

Application

6,7-Dihydro-2-(2,4,6-trimethylphenyl)-5H-pyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate serves as a stable, bench-ready building block for constructing biologically relevant heterocyclic scaffolds. Its triazolium core enables facile functionalization via nucleophilic substitution and participates in transition-metal-catalyzed cross-coupling reactions. The electron-donating trimethylphenyl group enhances solubility and stability, while the tetrafluoroborate counterion facilitates purification and handling. This reagent functions effectively in the synthesis of fused polycyclic systems and provides access to pharmacophores common in medicinal chemistry.

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-H320-H335
Precautionary Statements : P264-P270-P330

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Computational Chemistry Data

TPSA 21.7
LogP -0.08494
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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6,7-Dihydro-2-(2,4,6-trimethylphenyl)-5HPyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate

CAS No. 862893-80-9

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