Bernasconi Claude F, Pérez-Lorenzo Moisés, Codding Sara J
Department of Chemistry and Biochemistry, University of California, Santa Cruz, CA 95064, USA.
J Org Chem. 2007 Dec 7;72(25):9456-63. doi: 10.1021/jo701422z. Epub 2007 Nov 15.
A kinetic study of the reactions of thiolate ions with three Fischer-type [aryloxy(phenyl)carbene]pentacarbonyl chromium(0) complexes in 50% MeCN-50% water (v/v) is reported. Brønsted plots of the second-order rate constants are biphasic with an initial steep rise for weakly basic thiolate ions (beta(nuc) approximately equal to 1.0) followed by a slightly descending leg with a negative slope (beta(nuc) approximately equal to -0.2) for strongly basic thiolate ions. This indicates a change from rate-limiting leaving group departure at low pK(RSH)(a) to rate-limiting nucleophilic attachment at high pK(RSH)(a). The negative beta(nuc) values result from a combination of minimal progress of C-S bond formation at the transition state and the requirement for partial desolvation of the nucleophile before it enters the transition state. Possible factors that may affect the degree of bond formation in reactions of Fischer carbene complexes as well as reactions of other unsaturated electrophiles with thiolate ions are discussed.
本文报道了在50%乙腈-50%水(体积比)中硫醇盐离子与三种费歇尔型[芳氧基(苯基)卡宾]五羰基铬(0)配合物反应的动力学研究。二级速率常数的布朗斯特图呈双相,对于弱碱性硫醇盐离子(β(亲核试剂)约等于1.0),初始斜率陡峭上升,随后对于强碱性硫醇盐离子,斜率略有下降且为负(β(亲核试剂)约等于 -0.2)。这表明在低pK(RSH)(a)时,反应速率限制步骤从离去基团离去转变为在高pK(RSH)(a)时亲核试剂加成。β(亲核试剂)的负值是由于过渡态C - S键形成进展极小以及亲核试剂进入过渡态前需要部分去溶剂化共同导致的。文中还讨论了可能影响费歇尔卡宾配合物反应以及其他不饱和亲电试剂与硫醇盐离子反应中键形成程度的因素。