Yang Bingchuan, Tan Xiaochen, Guo Ruiying, Chen Shunwei, Zhang Zeyuan, Chu Xianglong, Xie Caixia, Zhang Dongju, Ma Chen
School of Chemistry and Chemical Engineering, Shandong University , Jinan 250100, P. R. China.
J Org Chem. 2014 Sep 5;79(17):8040-8. doi: 10.1021/jo5011729. Epub 2014 Aug 18.
A series of 1,4-thiazepin-5(4H)-one derivatives were synthesized via a transition metal-free one-pot Smiles rearrangement process at room temperature. Regioselective seven-membered heterocycles were constructed in good to excellent yields. To gain an in-depth understanding of the S-N type Smiles rearrangement mechanism, a theoretical study was also performed by quantum chemistry calculations.
通过无过渡金属的室温一锅法施密尔斯重排反应合成了一系列1,4-噻氮平-5(4H)-酮衍生物。以良好至优异的产率构建了区域选择性七元杂环。为了深入了解S-N型施密尔斯重排机理，还通过量子化学计算进行了理论研究。
