两步合成、结构与双杂[7]轮烷的光学特性

SANKEN, Osaka University, Ibaraki-shi, Osaka 567-0047, Japan.

Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Suez Canal University, Ismailia 41522, Egypt.

Molecules. 2022 Dec 19;27(24):9068. doi: 10.3390/molecules27249068.

A novel double aza-oxa[7]helicene was synthesized from the commercially available ,-di(naphthalen-2-yl)benzene-1,4-diamine and -benzoquinone in two steps. Combining the acid-mediated annulation with the electrochemical sequential reaction (oxidative coupling and dehydrative cyclization) afforded this double hetero[7]helicene. Moreover, the structural and optical features of this molecule have been studied using X-ray crystallographic analysis, and the absorption and emission behaviors were rationalized based on DFT calculations.

一种新型的双氮杂-氧杂[7]螺苯并[1,2-b:3,4-b']二噻吩衍生物通过两步法从商业可得的 2,2′-二（萘-2-基）-1,4-苯二胺和邻苯二醌合成得到。将酸介导的环化与电化学顺序反应（氧化偶联和脱水环化）相结合，得到这种双杂[7]螺苯并[1,2-b:3,4-b']二噻吩衍生物。此外，使用 X 射线晶体学分析研究了该分子的结构和光学性质，并基于 DFT 计算对吸收和发射行为进行了合理化。