The catalytic ortho-regioselective C–H alkylation of a variety of alkoxy-substituted benzene derivatives with alkenes can be achieved by the use of a half-sandwich calcium alkyl complex [(Cp^Ar5)Ca{CH(SiMe₃)₂}(THF)] (2) (Cp^Ar5 = C₅Ar₅, Ar = 3,5-ⁱPr-C₆H₃) as the precatalyst. The potential catalytic reaction intermediates, half-sandwich calcium anisyl complexes [(Cp^Ar5)Ca(o-MeO-m-Ph-C₆H₃) (THF)₂] (8) and [(Cp^Ar5)Ca(o-MeO-2-Np) (THF)₂] (9) (Np = naphthyl), were isolated and X-ray structurally characterized. DFT calculations were carried out to elucidate the different reaction profiles of sp² and sp³ C–H activations.

中文翻译：

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半夹心钙催化剂对芳族醚与烯烃的区域选择性 C-H 烷基化

通过使用半夹心烷基钙络合物 [(Cp ^Ar5 ) Ca {CH(SiMe ₃ ) ₂ }(THF )] ( 2 ) (Cp ^Ar5 = C ₅ Ar ₅ , Ar = 3,5- ⁱ Pr-C ₆ H ₃ )作为预催化剂。潜在的催化反应中间体，半夹心茴香酸钙配合物 [(Cp ^Ar5 )Ca( o -MeO- m -Ph-C ₆ H ₃ ) (THF) ₂ ] (8 ) 和 [(Cp ^Ar5 )Ca( o -MeO-2-Np) (THF) ₂ ] ( 9 ) (Np = 萘基) 被分离出来并进行 X 射线结构表征。进行 DFT 计算以阐明 sp ²和 sp ³ C-H 活化的不同反应曲线。