1310031-37-8

Basic information

• Product Name: C₃₃H₄₂O₁₂S₃
• CAS NO: 1310031-37-8
• Molecular Weight: 726.887
• Mol File: 1310031-37-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₃₃H₄₂O₁₂S₃(CAS DataBase Reference)
• NIST Chemistry Reference: C₃₃H₄₂O₁₂S₃(1310031-37-8)
• EPA Substance Registry System: C₃₃H₄₂O₁₂S₃(1310031-37-8)

Safety Data

• Hazardous Substances Data: 1310031-37-8(Hazardous Substances Data)

Upstream product

• 6972-09-4 4-methylbenzenesulfonic acid, 4-hydroxybutyl ester 
• 156945-70-9 4-oxobutyl 4-methylbenzenesulfonate 

Downstream Products

• 156945-70-9 4-oxobutyl 4-methylbenzenesulfonate 

Relevant articles and documents

Viability of 4,5-dihydro-1,2,3,4-oxatriazoles reinvestigated

The first procedures to prepare 4-bromo-4-methylpentanal and 4-azido-4-methylpentanal are reported. The latter compound and also the parent 4-azidobutanal do not lead to 4,5-dihydro-1,2,3,4-oxatriazoles by intramolecular 1,3-dipolar cycloaddition, although it was claimed to be so in the literature. The NMR spectroscopic data of such heterocycles reported previously do not agree with those of similar substances and are incompatible with 13C NMR spectroscopic chemical shifts calculated by quantum chemical methods in the presented work. These calculations show furthermore that the intramolecular cycloaddition of 4-azidobutanals to give the title compounds is strongly endothermic and thus most probably not possible.