21254-74-0Relevant articles and documents
Reactions of bis(silyl-substituted) methyllithium with α-hydrogen- free nitriles into 1,3,5-triazines
Chen, Xia,Bai, Sheng-Di,Wang, Li,Liu, Dian-Sheng
, p. 1425 - 1430 (2005)
Bis(silyl-substituted) methyllithium has been found to catalyze a conversion of α-hydrogen-free nitriles directly to yield 2,4,6-trisubsituted s-triazines. The generally high yields and relatively mild reaction conditions of this procedure suggest an alternative to other aromatic nitrile cyclotrimerization reactions. Silicotropic rearrangements from C to N or N to N and an unusual elimination of LiCR2R (R=SiMe3, R=SiMe2NMe2) were observed.
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.
A practical and easy synthesis of 2,4,6-trisubstituted-s-triazines
Herrera, Antonio,Martinez-Alvarez, Roberto,Ramiro, Pedro,Chioua, Mourad,Chioua, Rachid
, p. 503 - 505 (2007/10/03)
Triflic anhydride was found to be efficient for the cyclotrimerization of dialkylcyanamides under mild conditions. The same reaction can be applied to aryl nitriles and thiocyanates.