4,5-二氯邻苯二甲酸酐与硫代卡巴肼和胺的反应性：合成、光谱分析和 DFT 研究。
Reactivity of 4,5-Dichlorophthalic Anhydride towards Thiosemicarbazide and Amines: Synthesis, Spectroscopic Analysis, and DFT Study.
机构信息
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia.
Chemistry of Tanning Materials and Leather Technology Department, Chemical Industries Research Institute, National Research Centre, 33 El-Bohouth St. (Former El-Tahrir St.), Dokki, Cairo 12622, Egypt.
出版信息
Molecules. 2022 May 31;27(11):3550. doi: 10.3390/molecules27113550.
The cyclic anhydrides are broadly employed in several fields, such as the chemical, plastic, agrochemical, and pharmaceutical industries. This study describes the chemical reactivity of 4,5-dichlorophthalic anhydride towards several nucleophiles, including thiosemicarbazide and different amines, to produce the carboxylic acid derivatives resulting from anhydride's opening, namely, phthalimide and dicarboxylic acid (-) products. Their chemical structures are confirmed by NMR, IR and MS spectra analyses. Density-functional theory (DFT) studies are performed using (DFT/B3LYP) with the 6-311G(d, p) basis sets to recognize different chemical and physical features of the target compounds.
环状酸酐在化学、塑料、农用化学品和制药等多个领域得到广泛应用。本研究描述了 4,5-二氯邻苯二甲酸酐对多种亲核试剂（包括缩硫代氨基脲和不同的胺）的化学反应性，以生成酸酐开环得到的羧酸衍生物，即邻苯二甲酰亚胺和二羧酸（-)产物。它们的化学结构通过 NMR、IR 和 MS 谱分析得到确认。使用密度泛函理论（DFT）研究（DFT/B3LYP）与 6-311G(d, p)基组相结合，以识别目标化合物的不同化学和物理特性。
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