172606-26-7

Basic information

• Product Name: 1,3,5-tris(pyrazole-1-yl-methyl)-2,4,6-trimethylbenzene
• Synonyms: 1,3,5-tris(pyrazole-1-yl-methyl)-2,4,6-trimethylbenzene
• CAS NO: 172606-26-7
• Molecular Weight: 360.462
• Mol File: 172606-26-7.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1,3,5-tris(pyrazole-1-yl-methyl)-2,4,6-trimethylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-tris(pyrazole-1-yl-methyl)-2,4,6-trimethylbenzene(172606-26-7)
• EPA Substance Registry System: 1,3,5-tris(pyrazole-1-yl-methyl)-2,4,6-trimethylbenzene(172606-26-7)

Safety Data

• Hazardous Substances Data: 172606-26-7(Hazardous Substances Data)

Usage

Structure

Benzene derivative with three pyrazole groups attached at the 1, 3, and 5 positions, and three methyl groups attached at the 2, 4, and 6 positions.

Type of compound

Hetrocyclic compound

Ring structure

Contains atoms other than carbon, such as nitrogen.

Applications

a. Organic synthesis
b. Ligand in coordination chemistry for forming metal complexes
c. Potential applications in medicinal chemistry and materials science.

Upstream product

• 288-13-1 NH-pyrazole 
• 21988-87-4 1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene 

Relevant articles and documents

Structural examination of halogen-bonded co-crystals of tritopic acceptors

A series of tritopic N-heterocyclic compounds containing electrostatically and geometrically equivalent binding sites were synthesized and subjected to systematic co-crystallizations with selected perfluoroiodoarenes in order to map out their structural landscapes. More than 70% of the attempted reactions produced a co-crystal as indicated by IR spectroscopy. Four new crystal structures are reported and in all of them, at least one potential binding site on the acceptor is left vacant. The absence of halogen bonds to all sites can be ascribed primarily due to deactivation of the σ-hole on the iodo-arene donors and partially due to steric hindrance. The tritopic acceptors containing 5,6-dimethylbenzimidazole derivatives yield discrete tetrameric aggregates in the solid state, whereas the pyrazole and imidazole analogues assemble into halogen-bonded 1-D chains.

Poly(pyrazol-1-ylmethyl)benzenes: New Multidentate Ligands

Twelve new multidentate poly(pyrazol-1-ylmethyl)benzene ligands, (5)-(16), have benn synthesized by phase-transfer-catalysed alkylations of pyrazoles with poly(bromomethyl)benzenes, and their 1H and 13C n.m.r. spectra have been fully assigned.X-Ray crystal structure determinations have been carried out on the tetrachloropalladate salt of the diprotonated form of 1,4-bis(3,5-dimethylpyrazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene and on hexakis(pyrazol-1-ylmethyl)benzene.