6793-92-6Relevant articles and documents
Interplay between the crystal stability and the energy of the molecular conformation
Dyk, Konrad,Baran, ?ukasz,R?ysko, Wojciech,Stankevi?, Marek,Kamiński, Daniel M.
, p. 2683 - 2694 (2021/04/19)
A specially designed new compound, 5,5′-bis(4-hydroxyphenyl)-2,2′-dihydroxy-1,1′-biphenyl, can crystallize in different crystallographic systems. The molecule adopts theC-conformation for the torsion angle of around 60° and theT-conformation for the angle of around 130°, which differ in energy by ~0.8 kJ mol?1. Theoretical studies for the gaseous phase show that theC-conformer has a lower energy. However, crystallization experiments show that the most stable crystal structure consists of only the energetically less stableT-conformer. On the other hand, fast crystal growth at low temperature and crystal growth after milling both lead to the formation of metastable crystals in which the studied molecule adopts theC-conformation. Our study shows that the total crystal net energy is the main factor in determining the molecular conformations even if the molecular conformation has a higher energy in the gaseous phase.
Transition-Metal-Free and Base-Promoted Carbon-Heteroatom Bond Formation via C-N Cleavage of Benzyl Ammonium Salts
Liu, Long,Tang, Yuanyuan,Wang, Kunyu,Huang, Tianzeng,Chen, Tieqiao
, p. 4159 - 4170 (2021/03/09)
A facile and general method for constructing carbon-heteroatom (C-P, C-O, C-S, and C-N) bonds via C-N cleavage of benzyl ammonium salts under transition-metal-free conditions was reported. The combination of t-BuOK and 18-crown-6 enabled a wide range of substituted benzyl ammonium salts to couple readily with different kinds of heteroatom nucleophiles, i.e. hydrogen phosphoryl compounds, alcohols, thiols, and amines. Good functional group tolerance was demonstrated. The scale-up reaction and one-pot synthesis were also successfully performed.
N2-substituted alkoxy aromatic cyclo-2-aminopyrimidine derivative and application thereof
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Paragraph 0107-0108, (2020/09/20)
The invention provides an N2-substituted alkoxy aromatic cyclo-2-aminopyrimidine derivative and application thereof. The N2-substituted alkoxy aromatic cyclo-2-aminopyrimidine derivative comprises anoptical isomer and pharmaceutically acceptable salt thereof. Preliminary pharmacodynamic indication shows that the compound disclosed by the invention has FLT3 inhibitory activity, wherein the proliferation inhibition activity is realized on various leukemia cell strains; moreover, the derivative is effective for multiple mutations of AML, such as internal tandem repeat mutation of a near-membranestructural domain and D835 point mutation of an activated ring in a kinase structural domain and almost has no inhibition effect on c-KIT. The derivative can overcome drug resistance brought by clinical point mutation, can reduce toxic and side effects of bone marrow inhibition, and can be applied to preparation of antitumor drugs. The general structural formula of the derivative is shown in thespecification.