Lithium 5-(2-diphenylphosphinoethyl)-1,2,3,4-tetramethylcyclopentadienide: regioselectivity of alkylation of the tetramethylcyclopentadienide anionстатьяИсследовательская статья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:Treatment of a mixture of isomeric (2-chloroethyl)-l,2,3,4-tetramethylcyclopentadienes with lithium diphenylphosphide leads to novel 4,5,6,7-tetramethylspiro[2,4]hepta-4,6-diene among the reaction products. The reaction of spiroheptadiene obtained with excess LiPPh2 at elevated temperature affords lithium 5-(2-diphenylphosphinoethyl)-l,2,3,4-tetramethylcyclopentadienide in almost quantitative yield. The regioseleetivity of alkylation of the tetramethylcyclopentadienide anion is estimated from quantum-chemical calculations performed ab initio for CsMe4H-. The full charges on the ring carbon atoms are determined within the framework of Bader's theotT of atomic fragments in molecules.