398119-22-7

Basic information

• Product Name: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3,5-bis[2-(1,1,1-trimethylsilyl)-1-ethynyl]benzoate
• Synonyms: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3,5-bis[2-(1,1,1-trimethylsilyl)-1-ethynyl]benzoate
• CAS NO: 398119-22-7
• Molecular Weight: 460.718
• Mol File: 398119-22-7.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3,5-bis[2-(1,1,1-trimethylsilyl)-1-ethynyl]benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3,5-bis[2-(1,1,1-trimethylsilyl)-1-ethynyl]benzoate(398119-22-7)
• EPA Substance Registry System: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3,5-bis[2-(1,1,1-trimethylsilyl)-1-ethynyl]benzoate(398119-22-7)

Safety Data

• Hazardous Substances Data: 398119-22-7(Hazardous Substances Data)

Upstream product

• 1066-54-2 trimethylsilylacetylene 
• 681240-96-0 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethyl 3,5-diiodobenzoate 
• 42860-25-3 3,5-diiodobenzoyl chloride 
• 188815-32-9 3-bromo-5-iodo-benzoic acid 
• 112-35-6 triethylene glucol monomethyl ether 
• 223774-17-2 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-bromo-5-iodo-benzoate 
• 67973-33-5 3,5-dibromobenzoic acid ethyl ester 
• 398119-21-6 2-(2-(2-methoxyethoxy)ethoxy)ethyl 3,5-dibromobenzoate 

Downstream Products

• 791090-30-7 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3,5-di(benzoylbiphenylethynyl)benzoate 
• 398119-23-8 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3,5-biethynylbenzoate 
• 398119-25-0 C₄₆H₅₄N₂O₁₉ 
• 398119-26-1 C₄₆H₅₄N₂O₁₅H₄ 
• 398119-30-7 C₄₈H₅₆O₁₇ 

Relevant articles and documents

Water-soluble meta-poly(phenylene ethynylene) oligomers with stable helical secondary structure

Two novel water-soluble meta-poly(phenylene ethynylene) (mPPE) copolymers were synthesized and characterized, each contained ester and amine functional groups attached to exohelix positions on the phenylene rings and one contained methoxy endohelix functi

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.