496965-02-7

Basic information

• Product Name: 2,5-bis(hexyloxy)terephthalonitrile
• Synonyms: 2,5-bis(hexyloxy)terephthalonitrile
• CAS NO: 496965-02-7
• Molecular Formula: C20H28N2O2
• Molecular Weight: 328.44852
• Mol File: 496965-02-7.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2,5-bis(hexyloxy)terephthalonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-bis(hexyloxy)terephthalonitrile(496965-02-7)
• EPA Substance Registry System: 2,5-bis(hexyloxy)terephthalonitrile(496965-02-7)

Safety Data

• Hazardous Substances Data: 496965-02-7(Hazardous Substances Data)

Upstream product

• 123-31-9 hydroquinone 
• 67399-93-3 1,4-dihexyloxybenzene 
• 128424-36-2 2,5-dihexyloxy-1,4-dibromobenzene 
• 111-25-1 1-bromo-hexane 

Relevant articles and documents

A study on the synthesis, characterization, structural optimization, and conformational behaviors of bromo-substituted pyromelliticdiimide-based [2+2] macrocycle as structural units of covalently linked molecular tubes

Synthesis and structural, photo physical, and conformational behaviors at variable temperature and structural optimization of the pyromelliticdiimide-based bromo-substituted [2 + 2] macrocycles are described. Cyclization of the diamine (3) with dianhydride (4) in THF, followed by dehydration of the resultant amic acids resulted in the isolation of the bromo-substituted [2 + 2] macrocycle 1 (4.5%). The dynamic temperature-dependent 1H NMR spectra and MO calculations revealed the presence of two possible conformers for the [2 + 2] macrocycle 1. The UV/Vis spectrum of 1 reveals the presence of a weak intramolecular CT interaction of electron-withdrawing pyromelliticdiimide moiety with the electron-donating hexyloxy-substituted xylyl moiety. The cyclic voltammetric measurement shows two two-electron reversible reduction processes.