398119-23-8

Basic information

• Product Name: Benzoic acid, 3,5-diethynyl-, 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester
• CAS NO: 398119-23-8
• Molecular Formula: C18H20O5
• Molecular Weight: 316.354
• Mol File: 398119-23-8.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 3,5-diethynyl-, 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 3,5-diethynyl-, 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester(398119-23-8)
• EPA Substance Registry System: Benzoic acid, 3,5-diethynyl-, 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester(398119-23-8)

Safety Data

• Hazardous Substances Data: 398119-23-8(Hazardous Substances Data)

Upstream product

• 42860-25-3 3,5-diiodobenzoyl chloride 
• 681240-96-0 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethyl 3,5-diiodobenzoate 
• 398119-21-6 2-(2-(2-methoxyethoxy)ethoxy)ethyl 3,5-dibromobenzoate 
• 67973-33-5 3,5-dibromobenzoic acid ethyl ester 
• 437707-58-9 ethyl 3,5-bis[(trimethylsilyl)ethynyl]benzoate 
• 223774-17-2 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-bromo-5-iodo-benzoate 
• 188815-32-9 3-bromo-5-iodo-benzoic acid 
• 112-35-6 triethylene glucol monomethyl ether 
• 883106-26-1 3,5-diethynyl-benzoic acid 
• 398119-22-7 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3,5-bis[2-(1,1,1-trimethylsilyl)-1-ethynyl]benzoate 

Downstream Products

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

Single-site modifications and their effect on the folding stability of m-phenylene ethynylene oligomers

(Equation presented) The folded structure of a m-phenylene ethynylene oligomer is tolerant to single-site modifications to both the backbone sequence and end groups. The helical structure is reinforced by multiple noncovalent interactions, allowing the ol

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.