Green synthesis, spectroscopic and quantum chemical calculations of some pyrimidine derivatives

被引：2

作者：

Manikandan, H. ^{[1
]}

Sivapriya, S. ^{[1
]}

Priyanka, S. ^{[1
]}

Seenivasan, M. ^{[2
]}

Rajathi, V. ^{[3
]}

机构：

[1] Annamalai Univ, Dept Chem, Annamalainagar 608001, India

[2] Annamalai Univ, Math Wing DDE, Annamalainagar 608001, India

[3] Govt Arts Coll, Dept Zool, C Muthur 608102, India

来源：

MATERIALS TODAY-PROCEEDINGS | 2022年 / 66卷

关键词：

Chalcone; Pyrimidine; Grinding method; Hyperpolarizability; MICROWAVE; CHEMISTRY; ANTITUMOR; RING;

D O I：

10.1016/j.matpr.2022.06.326

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A series of 4-aryl-3,4,6,7,8,9-hexahydro-1H-cyclohepta[d]pyrimidine-2(5H)-thiones were synthesized via the reaction of chalcone with thiourea using various processes such as heat, ultrasonic, and grinding approach. Because of its response simplicity, shortest reaction time, fewer contamination, and excellent product yields, the potential use of pyrimidine subsidiaries in natural combination is rapidly growing. The designs of the molecules were resolved using FT-IR, H-1 NMR, and C-13 NMR spectroscopy. The DFT B3LYP/6-31G (d,p) principle set was used to investigate the blended compound's sub-atomic structure. The NLO property of the synthesized compound was determined using hyperpolarizability values. Copyright (c) 2022 Elsevier Ltd. All rights reserved.

引用

页码：2322 / 2331

页数：10

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