Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Prepared Sulfonic-Acid-Based Ionic Liquid for Catalytic Conversion of Furfuryl Alcohol to Ethyl Levulinate
ACS Omega ( IF 3.7 ) Pub Date : 2024-03-13 , DOI: 10.1021/acsomega.3c10475 Aiyun Hu 1, 2 , Shan Li 1 , Sheng Zhang 1 , Haijun Wang 2
ACS Omega ( IF 3.7 ) Pub Date : 2024-03-13 , DOI: 10.1021/acsomega.3c10475 Aiyun Hu 1, 2 , Shan Li 1 , Sheng Zhang 1 , Haijun Wang 2
Affiliation
|
Efficient utilization of Brønsted acids has been advanced through the synthesis of a novel pyridinium propyl sulfonic acid ionic liquid catalyst, [PSna][HSO4]. Employing niacin and 1,3-propanesulfonic lactone, the synthesis aimed to achieve a catalyst that combines atom-efficiency with stability. Optimal catalytic activity was demonstrated at a temperature of 110 °C over a 2 h reaction time, resulting in a furfuryl alcohol conversion and ethyl levulinate yield of 97.79% and 96.10%, respectively. Notably, the extraction and recovery of [PSna][HSO4] exhibited commendable repeatability with up to five cycles, maintaining furfuryl alcohol conversion and ethyl levulinate yield at 93.74% and 88.17%, which highlights the catalyst’s durability. Density flooding theory (DFT) calculations were employed to determine the most probable reaction pathways and identify all possible transition states and the reaction energy barriers overcome at each step of the reaction.
中文翻译：
制备磺酸基离子液体催化糠醇转化为乙酰丙酸乙酯
通过合成新型吡啶鎓丙基磺酸离子液体催化剂[PSna][HSO 4 ]，推进了布朗斯台德酸的高效利用。该合成采用烟酸和1,3-丙磺酸内酯，旨在获得一种兼具原子效率和稳定性的催化剂。在 110 °C 的温度下，反应时间为 2 小时，表现出了最佳的催化活性，糠醇转化率和乙酰丙酸乙酯收率分别为 97.79% 和 96.10%。值得注意的是，[PSna][HSO 4 ]的萃取和回收在多达五个循环中表现出值得称赞的重复性，将糠醇转化率和乙酰丙酸乙酯产率保持在93.74%和88.17%，这凸显了催化剂的耐用性。采用密度驱替理论 (DFT) 计算来确定最可能的反应路径，并确定所有可能的过渡态以及反应每一步要克服的反应能垒。
更新日期：2024-03-13
中文翻译：
制备磺酸基离子液体催化糠醇转化为乙酰丙酸乙酯
通过合成新型吡啶鎓丙基磺酸离子液体催化剂[PSna][HSO 4 ]，推进了布朗斯台德酸的高效利用。该合成采用烟酸和1,3-丙磺酸内酯，旨在获得一种兼具原子效率和稳定性的催化剂。在 110 °C 的温度下，反应时间为 2 小时，表现出了最佳的催化活性，糠醇转化率和乙酰丙酸乙酯收率分别为 97.79% 和 96.10%。值得注意的是，[PSna][HSO 4 ]的萃取和回收在多达五个循环中表现出值得称赞的重复性，将糠醇转化率和乙酰丙酸乙酯产率保持在93.74%和88.17%，这凸显了催化剂的耐用性。采用密度驱替理论 (DFT) 计算来确定最可能的反应路径，并确定所有可能的过渡态以及反应每一步要克服的反应能垒。
京公网安备 11010802027423号