69795-09-1

Basic information

• Product Name: sodium 2,6-dimethylbenzoate
• Synonyms: sodium 2,6-dimethylbenzoate
• CAS NO: 69795-09-1
• Molecular Weight: 172.159
• Mol File: 69795-09-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: sodium 2,6-dimethylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: sodium 2,6-dimethylbenzoate(69795-09-1)
• EPA Substance Registry System: sodium 2,6-dimethylbenzoate(69795-09-1)

Safety Data

• Hazardous Substances Data: 69795-09-1(Hazardous Substances Data)

Upstream product

• 14920-81-1 methyl 2,6-dimethylbenzoate 
• 3492-64-6 sodium benzylmercaptide 

Relevant articles and documents

Alkali-metal-ion-assisted BAL2 cleavage of 2-(methoxycarbonyl)-1,3-xylylene-18-crown-5 by benzenemethanethiolate anion

BAL2 demethylation of 2-(methoxycarbonyl)-1,3-xylylene-18-crown-5 by benzenemethanethiolate anion in dimethylformamide (+1.6 M water) at 35 deg C is significantly promoted by alkali-metal counterions, the efficiency order being Na(1+) > K(1+) > Cs(1+) >Li(1+).The contrasting behaviour of the model compound, methyl 2,6-dimethylbenzoate, whose demethylation reaction is in fact slightly inhibited by metal ions, points to the crucial role played by the polyether bridge of the crown ether substrate.In line with previous work from this laboratory, selectivetransition-state stabilisation in the metal-ion-promoted cleavage of the crown-ether substrate is ascribed to a favourable combination of electrostatic binding of the metal ions with the negative charge being transferred from the nucleophile to the convergent methoxycarbonyl group and coordinative binding to the neutral donors of the polyether bridge.