Transition Metal-Free One-Pot Synthesis of Fused 1,4-Thiazepin-5(4H)-ones and Theoretical Study of the S鈥揘 Type Smiles Rearrangement Process

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• 作者：Bingchuan Yang ; Xiaochen Tan ; Ruiying Guo ; Shunwei Chen ; Zeyuan Zhang ; Xianglong Chu ; Caixia Xie ; Dongju Zhang ; Chen Ma
• 刊名：Journal of Organic Chemistry
• 出版年：2014
• 出版时间：September 5, 2014
• 年：2014
• 卷：79
• 期：17
• 页码：8040-8048
• 全文大小：548K
• ISSN：1520-6904

文摘

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鈥揘 type Smiles rearrangement mechanism, a theoretical study was also performed by quantum chemistry calculations.