398119-25-0

Basic information

• Product Name: C₄₆H₅₄N₂O₁₉
• Synonyms: C₄₆H₅₄N₂O₁₉
• CAS NO: 398119-25-0
• Molecular Weight: 938.937
• Mol File: 398119-25-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₄₆H₅₄N₂O₁₉(CAS DataBase Reference)
• NIST Chemistry Reference: C₄₆H₅₄N₂O₁₉(398119-25-0)
• EPA Substance Registry System: C₄₆H₅₄N₂O₁₉(398119-25-0)

Safety Data

• Hazardous Substances Data: 398119-25-0(Hazardous Substances Data)

Upstream product

• 398119-22-7 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3,5-bis[2-(1,1,1-trimethylsilyl)-1-ethynyl]benzoate 
• 398119-21-6 2-(2-(2-methoxyethoxy)ethoxy)ethyl 3,5-dibromobenzoate 
• 6307-87-5 methyl 3-bromo-5-nitrobenzoate 
• 112-35-6 triethylene glucol monomethyl ether 
• 398119-24-9 2-[2-(2-methoxyethoxy)ethoxy]ethyl 5-bromo-3-nitrobenzoate 
• 398119-23-8 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3,5-biethynylbenzoate 
• 67973-33-5 3,5-dibromobenzoic acid ethyl ester 

Downstream Products

• 398119-26-1 C₄₆H₅₄N₂O₁₅H₄ 

Relevant articles and documents

Synthesis and self-association of an imine-containing m-phenylene ethynylene macrocycle

The purpose of this study was to test the suitability of the imine bond as a structural unit within the backbone of phenylene ethynylene macrocycles and oligomers by determining the ability of m-phenylene ethynylene macrocycle 1 to form π-stacked aggregates in both solution and the solid state. Macrocycle 1, with two imine bonds, was synthesized in high yield from diamine 4 and dialdehyde 5. The imine-forming macrocyclization step was carried out under a variety of conditions, with the best yield obtained simply by refluxing the reactants in methanol. The self-association behavior of 1 in various solvents was probed by 1H NMR. The association constants (KE) in acetoned6 and tetrahydrofuran-d8 were determined by fitting the concentration-dependent chemical shifts with indefinite self-association models. The results showed that solvophobically driven intermolecular π-π stacking could be preserved in the imine-containing m-phenylene ethynylene macrocycles. Interestingly, in acetone macrocycle 1 exhibited a stronger tendency to form a dimer rather than higher aggregates. We postulate that this behavior may be due to electrostatic attraction between dipolar imine groups. The solid-state packing of 1 was studied by wide- and small-angle X-ray powder diffraction (WAXD and SAXD). Bragg reflections of 1 were consistent with a hexagonal packing motif similar to our previous studies on m-phenylene ethynylene macrocycles that formed columnar liquid crystal phases.