198331-54-3Relevant academic research and scientific papers
Lithium 5-(2-diphenylphosphinoethyl)-1,2,3,4-tetramethylcyclopentadienide: Regioselectivity of alkylation of the tetramethylcyclopentadienide anion
Krut'ko,Borzov,Veksler,Myshakin,Lemenovskii
, p. 956 - 959 (1998)
Treatment of a mixture of isomeric (2-chloroethyl)-1,2,3,4-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)-1,2,3,4-tetramethylcyclopentadienide in almost quantitative yield. The regioselectivity of alkylation of the tetramethylcyclopentadienide anion is estimated from quantum-chemical calculations performed ab initio for C5Me4H-. The full charges on the ring carbon atoms are determined within the framework of Bader's theory of atomic fragments in molecules.
