碳酸促进了区域选择性的碳酸
Vijay Kumar1, Praval Pratap Singh2, Ashish Ranjan Dwivedi1,3
1Laboratory of Organic and Medicinal Chemistry, Department of Chemistry, Central University of Punjab Bathinda Punjab 151401 India vpathania18@gmail.com vinod.kumar@cup.edu.in +911642864214.
一种新的无催化剂方法区域选择性地功能化了二甲胺. 在DMF中的碳酸可以有效地进行O-化,产生14种高产的化合物.
科学领域:
- 有机化学 有机化学
- 综合方法论 综合方法论
- 异环化学 异环化学
背景情况:
- 胺衍生物是药物化学中的重要支架.
- 区域选择性功能化对于合成向化合物至关重要.
- 开发高效和温和的合成路线仍然是一个关键的挑战.
研究的目的:
- 开发一种简单,单阶段,无催化剂的方法,用于对4,6-二烯二胺-2-1H) -one进行区域选择性功能化.
- 为了实现对O-regioisomer的高选择性.
- 将该方法扩展到其他异环系统,如2-phenylquinazolin-4(3H) -one衍生物.
主要方法:
- 在N,N-二甲基形式胺 (DMF) 中使用碳酸 (Cs2CO3) 进行的一步反应.
- 在温和温度下的无催化剂条件下.
- 密度函数理论 (DFT) 计算用于研究反应机制和过渡状态.
主要成果:
- 成功合成了14种区域选择性O-化4,6-二甲胺,产量从81%到91%不等.
- 在没有合试剂的DMF中使用Cs2CO3证明了高的O-区域选择性.
- DFT研究证实了O-化与Cs2CO3.3的有利过渡状态.
- 扩展了方法,以改善2-phenylquinazolin-4(3H) -one衍生物的化O/N比率.
结论:
- 开发了一种高效和温和的无催化剂方法,用于二甲胺的区域选择性O-化.
- 使用Cs2CO3是实现高O选择性的关键.
- 该方法提供了一种有价值的合成工具,用于获取功能化的pyrimidine和quinazolinone衍生物.
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