Application of 2177-47-1, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.2177-47-1, Name is 2-Methyl-1H-indene, molecular formula is C10H10. In a Article，once mentioned of 2177-47-1
sigma-Methyl-(eta5-indenyl)chromium tricarbonyl (III) rearranges quantitatively into (eta6-1-endo-methylindene)chromium tricarbonyl (IV) in C6D6 solution at 30-60C. Methyl group attachment to the positions 2 or 3 of indenyl ligand in (III) has no influence on the activation parameters of this ricochet inter-ring haptotropic rearrangement (DeltaG# = 23.6 kcal mol-1; DeltaH# = 18.9 ± 0.2 kcal mol-1; DeltaS# = -18.6 ± 0.2 cal K-1 mol-1). (IV) undergoes further irreversible isomerization at 60-120 into (eta6-3-methylindene)chromium tricarbonyl (V) with a higher activation barrier (DeltaG# = 28.5 ± 0.1 kcal mol-1) via two consecutive [1,5]-sigmatropic hydrogen shifts. The mechanisms of both rearrangements have been studied in detail using density functional theory (DFT) calculations with extended basis sets. Calculations show that the rearrangement (III) ? (IV) proceeds in two steps. Methyl group migration from chromium into position 1 of the indenyl ligand is the rate-determining step leading to the formation of the 16-electron intermediate (VII). The calculated activation barrier (Ea = 19.6 kcal mol-1) is in good agreement with the experimental one. Further rearrangement (VII) ? (V) proceeds via a trimethylenemethane-type transition state (XVIII) with an activation barrier 11.8 kcal mol-1. The coordination of the chromium tricarbonyl group at the six-membered ring has only minor influence on the kinetic parameters of the hydrogen [1,5]-sigmatropic shift in indene.
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Reference：
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI