79376-82-2

Basic information

• Product Name: Lithium, [3-(2,2-dimethylpropyl)-1,2,4,5,6,6-hexamethyl-2,4-cyclohexadien-1-yl]-
• CAS NO: 79376-82-2
• Molecular Formula: C17H29Li
• Molecular Weight: 240.358
• Mol File: 79376-82-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Lithium, [3-(2,2-dimethylpropyl)-1,2,4,5,6,6-hexamethyl-2,4-cyclohexadien-1-yl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Lithium, [3-(2,2-dimethylpropyl)-1,2,4,5,6,6-hexamethyl-2,4-cyclohexadien-1-yl]-(79376-82-2)
• EPA Substance Registry System: Lithium, [3-(2,2-dimethylpropyl)-1,2,4,5,6,6-hexamethyl-2,4-cyclohexadien-1-yl]-(79376-82-2)

Safety Data

• Hazardous Substances Data: 79376-82-2(Hazardous Substances Data)

Upstream product

• 3043-52-5 1,2,3,3,4,5-hexamethyl-6-methylene-cyclohexa-1,4-diene 
• 594-19-4 tert.-butyl lithium 

Downstream Products

• 3043-52-5 1,2,3,3,4,5-hexamethyl-6-methylene-cyclohexa-1,4-diene 
• 917-54-4 methyllithium 
• 56909-25-2 2,3,4,5,6-pentamethylneopentylbenzene 
• 75948-84-4 1,1,2,3,5,6-hexamethyl-4-neopentyl-2,4-cyclohexadiene 
• 75948-80-0 1,1,2,3,5,6-hexamethyl-4-neopentyl-2,5-cyclohexadiene 
• 75948-85-5 C₁₇H₂₉⁽²⁾H 
• 75948-81-1 C₁₇H₂₉⁽²⁾H 

Relevant articles and documents

First Determination of the Structure of an Ion-Paired Species in Nonpolar Media: 1H, 13C, and 7Li NMR Spectra of Peralkylcyclohexadienyllithium Compounds

Peralkylcyclohexadienyllithium compounds (2a,b), formed by addition of alkyllithiums to triene 1, are shown to exist as ion-paired aggregates containing conjugated anions bent out of the plane at the saturated ring carbon.Both 13C and 7Li NMR spectra show 2a,b to form two distinctly different ion-paired species - tight peripherally solvated ion-pair aggregates in the presence of mainly tertiary amines and loose separated ion-pair dimers favored with THF, glymes, and HMTP.The latter exhibit two 7Li(+) peaks, one due to Li sandwiched between two anions in a triple ion and the other situated external to it.In the case of 2b with THF both ion-pair species are dimers, and the equlibrium (A(-)Li(+))2*(THF)2 + THF (A2Li)(-) + Li(THF)3(+) is characterized with ΔH = -4 kcal and ΔS = -16 eu.The exchange of ions between ion pairs of 2b with THF is generally slow on the NMR time scale.However, above 0 deg C the lithium exchange rate between the solvated site in the loose ion-pair dimer and the lithium in the tighter ion-pair dimer lies on the NMR time scale.The mean lifetime of lithium in the triple ion is always > 10 s.The slow ion-exchange rates are ascribed to the crowded substitution around 2a,b.