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

• 681240-96-0 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethyl 3,5-diiodobenzoate 
• 42860-25-3 3,5-diiodobenzoyl chloride 
• 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 
• 398119-21-6 2-(2-(2-methoxyethoxy)ethoxy)ethyl 3,5-dibromobenzoate 

Downstream Products

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

Arylene ethynylene macrocycles prepared by precipitation-driven alkyne metathesis

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m-Diethynylbenzene macrocycles: Syntheses and self-association behavior in solution

m-Diethynylbenzene macrocycles (DBMs), buta-1,3-diyne-bridged [4n]metacyclophanes, have been synthesized and their self-association behaviors in solution were investigated, Cyclic tetramers, hexamers, and octamers of DBMs having exo-annular octyl, hexadecyl, and 3,6,9-trioxadecyl ester groups were prepared by intermolecular oxidative coupling of dimer units or intramolecular cyclization of the corresponding open-chain oligomers. The aggregation properties were investigated by two methods, the 1H NMR spectra and the vapor pressure osmometry (VPO). Although some discrepancies were observed between the association constants obtained from the two methods, the qualitative view was consistent with each other. The analysis of self-aggregation by VPO revealed unique aggregation behavior of DBMs in acetone and toluene, which was not elucidated by the NMR method. Namely, the association constants for infinite association are several times larger than the dimerization constant, suggesting that the aggregation is enhanced by the formation of dimers (a nucleation mechanism). In polar solvents, DBMs aggregate more strongly than in chloroform due to the solvophobic interactions between the macrocyclic framework and the solvents. Moreover, DBMs self-associate in aromatic solvents such as toluene and o-xylene more readily than in chloroform. In particular, the hexameric DBM having a large macrocyclic cavity exhibits extremely large association constants in aromatic solvents. By comparing the aggregation properties of DBMs with the corresponding acyclic oligomers, the effect of the macrocyclic structure on the aggregation propensity was clarified. Finally, it turned out that DBMs tend to aggregate more readily than the corresponding phenylacetylene macrocycles, acetylene-bridged [2n]metacyclophanes, owing to the withdrawal of the electron density from the aromatic rings by the butadiyne linkages which facilitates π-π stacking interactions.