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Green Oxidation Process in the Synthesis of LLM‐105 with H 2 O 2 /Peroxotungstate System and its Theoretical Study
Author(s) -
Zhu Jie,
Zhao XueJing,
Wang PengCheng,
Lu Ming
Publication year - 2016
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.2044
Subject(s) - chemistry , pyrazine , oxide , catalysis , oxidation process , protonation , process (computing) , combinatorial chemistry , organic chemistry , chemical engineering , ion , engineering , computer science , operating system
A new catalytic system was developed and applied to the oxidation reactions involved in the synthesis of LLM-105 , in which protonated peroxotungstate combining chitosan was used as catalyst. With H 2 O 2 as oxidant, good to excellent yields could be achieved in the synthesis of pyrazine‐1‐oxide, 2,6‐dimethoxypyrazine‐1‐oxide, 2,6‐dichloropyrazine‐1‐oxide, and 2‐chloro‐6‐methoxypyrazine‐1‐oxide without any addition of trifluoracetic acid, which provided a significant exploration toward novel and environmentally benign synthetic route for LLM-105 . Theoretical studies were also carried out with Gaussian 03 to evaluate the oxidation process. All of the calculated data matched well with our experimental results.