4953-04-2

Basic information

• Product Name: dimethyl 1-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazole-4,5-dicarboxylate
• CAS NO: 4953-04-2
• Molecular Formula: C₁₃H₁₃N₃O₆S
• Molecular Weight: 339.3238
• Mol File: 4953-04-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 492.5°C at 760 mmHg
• Flash Point: 251.7°C
• Density: 1.47g/cm³
• Vapor Pressure: 7.63E-10mmHg at 25°C
• Refractive Index: 1.621
• CAS DataBase Reference: dimethyl 1-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazole-4,5-dicarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: dimethyl 1-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazole-4,5-dicarboxylate(4953-04-2)
• EPA Substance Registry System: dimethyl 1-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazole-4,5-dicarboxylate(4953-04-2)

Safety Data

• Hazardous Substances Data: 4953-04-2(Hazardous Substances Data)

Upstream product

• 941-55-9 4-toluenesulfonyl azide 
• 1829-60-3 dimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate 

Relevant articles and documents

SITE-SELECTIVITY OF 1,3-DIPOLAR CYCLOADDITIONS TO 2,3-DIMETHOXYCARBONYL-7-OXABICYCLO-HEPTADIENE

Site-selectivity of dipolar cycloaddition to the title compound was studied.Azomethine X afforded a 1:1 cycloadduct XI at the deactivated double bond at room temperature;upon thermolysis at 110 degC it afforded the acetylated enamine XIII, wich was formed wia a direct cycloaddition at the mentioned temperature.The cycloaddition course was investigated in various solvents;the enamine XIV formed by solvolysis of XIII was the final products in methanol.Cycloaddition of title compound to azides, benzoylnitrile N-oxide and C-acetyl-N-phenylnitrilimine furnished the product of cycloreversion instead of the not isolable 1:1 cycloadducts.5-Azido-2-furancarbaldehyde and 4-nitrophenylazide yielded cycloaddition products to both multiple bonds in an approximately 1:1 ratio: HN3, tosylazide,benzoylnitrile N-oxide and C-acetyl-N-phenylnitrilimine gave the addition products to the deactivated double bond.The solvent-effect of site-selectivity of 1,3-dipolarcycloaddition was inwestigated and the title compound was found to be an exellent synthetic equivalent for acetylene and dimethyl butinedioate.