7753-06-2Relevant articles and documents
METHOD FOR PRODUCING TRIAZINE COMPOUND
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Paragraph 0046; 0059-0064; 0066; 0068-0069, (2021/03/03)
To provide a method for easily and efficiently producing a triazine compound from a nitrile compound and a trihalide compound under a mild production condition using a metal catalyst.SOLUTION: There is provided a method for producing a triazine compound by reacting a nitrile compound represented by the formula (1): R1-CN (wherein, R1 is an aryl group which may be substituted with one or more substituents or a heteroaryl group which may be substituted with one or more substituents) and a trihalide compound represented by the formula (2): R2-CX3 (wherein, R2 is an aryl group which may be substituted with one or more substituents or a heteroaryl group which may be substituted with one or more substituents and X is halogen) in the presence of a catalyst containing a Group 5 metal compound and an ammonium salt and optionally a metal halide compound.SELECTED DRAWING: None
Method for constructing asymmetric 2,4,6-trisubstituted 1,3,5-triazine compound by mixing aromatic aldehyde and ammonium iodide
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Paragraph 0065-0109; 0146-0149, (2020/09/30)
The invention discloses a method for constructing an asymmetric 2,4,6-trisubstituted 1,3,5-triazine compound by mixing aromatic aldehyde and ammonium iodide, and belongs to the field of organic synthesis. According to the method, mixed aromatic aldehyde and ammonium iodide are subjected to a one-pot reaction under the catalytic action of iron salt, and the asymmetric 2,4,6-trisubstituted 1,3,5-triazine compound is obtained. According to the method, a micromolecular aryl aldehyde raw material and an iron salt catalyst are adopted, the cost is low, the reaction conditions are mild, the asymmetric 2,4,6-trisubstituted 1,3,5-triazine compound can be obtained, the selectivity is high, and a brand-new synthesis route is provided for construction of a triazine ring.
Synthesis, Spectra, and Theoretical Investigations of 1,3,5-Triazines Compounds as Ultraviolet Rays Absorber Based on Time-Dependent Density Functional Calculations and three-Dimensional Quantitative Structure-Property Relationship
Wang, Xueding,Xu, Yilian,Yang, Lu,Lu, Xiang,Zou, Hao,Yang, Weiqing,Zhang, Yuanyuan,Li, Zicheng,Ma, Menglin
, p. 707 - 723 (2018/05/05)
A series of 1,3,5-triazines were synthesized and their UV absorption properties were tested. The computational chemistry methods were used to construct quantitative structure-property relationship (QSPR), which was used to computer aided design of new 1,3,5-triazines ultraviolet rays absorber compounds. The experimental UV absorption data are in good agreement with those predicted data using the Time-dependent density functional theory (TD-DFT) [B3LYP/6–311 + G(d,p)]. A suitable forecasting model (R > 0.8, P 0.0001) was revealed. Predictive three-dimensional quantitative structure-property relationship (3D-QSPR) model was established using multifit molecular alignment rule of Sybyl program, which conclusion is consistent with the TD-DFT calculation. The exceptional photostability mechanism of such ultraviolet rays absorber compounds was studied and confirmed as principally banked upon their ability to undergo excited-state deactivation via an ultrafast excited-state proton transfer (ESIPT). The intramolecular hydrogen bond (IMHB) of 1,3,5-triazines compounds is the basis for the excited state proton transfer, which was explored by IR spectroscopy, UV spectra, structural and energetic aspects of different conformers and frontier molecular orbitals analysis.
