345948-38-1

Basic information

• Product Name: meso-3,4-Bis(4-tert-butylphenyl)-2,2,5,5-tetramethylhexan
• CAS NO: 345948-38-1
• Molecular Weight: 406.695
• Mol File: 345948-38-1.mol

Chemical Properties

• CAS DataBase Reference: meso-3,4-Bis(4-tert-butylphenyl)-2,2,5,5-tetramethylhexan(CAS DataBase Reference)
• NIST Chemistry Reference: meso-3,4-Bis(4-tert-butylphenyl)-2,2,5,5-tetramethylhexan(345948-38-1)
• EPA Substance Registry System: meso-3,4-Bis(4-tert-butylphenyl)-2,2,5,5-tetramethylhexan(345948-38-1)

Safety Data

• Hazardous Substances Data: 345948-38-1(Hazardous Substances Data)

Upstream product

• 1710-98-1 p-tert-butyl benzoyl chloride 
• 86439-91-0 Bis<1-(4-tert-butylphenyl)-2,2-dimethylpropyl>diazen 
• 34235-16-0 1-(4-tert-Butylphenyl)-2,2-dimethyl-1-propanol 
• 22583-66-0 1-(4-(tert-butyl)phenyl)-2,2-dimethylpropan-1-one 

Downstream Products

• 26110-91-8 1-tert-Butyl-4-(2,2-dimethylpropyl)benzol 
• 65977-70-0 1-(tert-butyl)-4-(2-methylprop-1-en-1-yl)benzene 
• 79135-54-9 p,p'-Di-tert-butylstilbene 

Relevant articles and documents

Thermolabile Hydrocarbons, XVIII. 1-Substituted Neopentyl radicals and their Dimers

Five 3,4-diaryl-2,2,5,5-tetramethylhexanes 1a - e were prepared as pure meso- and DL-isomers.According to the NMR spectra, x-ray analyses for meso- and DL-1e (with an (FB)2E conformation as energy minimum for DL-1e), and force field calculations the diastereomers have distinctly different minimum energy conformations, rotational potentials, and strain enthalpies.Also the activation parameters for the thermal dissociation into 1-arylneopentyl radicals 2 are typically differing.From an entropy discussion it is concluded that sandwich-like diastereomeric radical complexes are formed in these reactions as first intermediates.Their tightness influences ΔS%.The recombinations of the radicals 2 likewise take place stereoselectively.Their substituent effects on the selectivity can also be understood by primary formation of diastereomeric complexes of radical pairs.