If you are interested in 202189-78-4, you can contact me at any time and look forward to more communication. Application In Synthesis of Bilastine.
In an article, author is Boraei, Ahmed T. A., once mentioned the application of 202189-78-4, Application In Synthesis of Bilastine, Name is Bilastine, molecular formula is C28H37N3O3, molecular weight is 463.61, MDL number is MFCD09837814, category is indole-building-block. Now introduce a scientific discovery about this category.
X -Ray structure, Hirshfeld analysis and DFT studies of two new hits of triazolyl-indole bearing alkylsulfanyl moieties
Two new hits of triazolyl-indole containing two different alkylsulfanyl analogues named tert-butyl 2-((4-amino-5-(1H-indol-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetate 2 , and ethyl 2-((4-amino-5-(1H-indol-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetate 3 were synthesized via reaction of 4-amino-5-(1H-indol-2-yl)-1,2,4-triazol-3(2H)-thione 1 with tert-butyl bromoacetate and ethyl chloroacetate in the presence of base (Et3N). The molecular structure of 2 , and 3 was confirmed by single-crystal X-ray diffraction and H-1/(CNMR)-C-13 spectroscopic techniques. In compound 2 , the molecular packing depends on significant O center dot center dot center dot H (9.3%), N center dot center dot center dot H (12.4%) and S center dot center dot center dot H (3.1%) as well as relatively weak C center dot center dot center dot H (14.1%), S center dot center dot center dot C (2.1%), H center dot center dot center dot H (50.5%) and S center dot center dot center dot S (0.9%) contacts. Similarly, the strong O center dot center dot center dot H (11.0-12.3%) and N center dot center dot center dot H (13.1-13.6%) hydrogen bonds as well as weak C center dot center dot center dot H (15.3-16.4%), S center dot center dot center dot N (0.8-1.7%) and H center dot center dot center dot H (43.6-43.9%) are the most important interactions compound in 3 . Both compounds are polar molecules where hit 2 (0.980 Debye) is less polar than 3 analogue (5.029 Debye). The atomic charge distribution and molecular electrostatic potential map as well as the reactivity descriptors were also discussed. The calculated NMR and UV-Vis spectra of the studied compounds were computed and compared with the experimental data. The different sigma ->sigma*, pi ->pi*, n ->sigma* and n ->pi* donor-acceptor interactions were investigated using NBO analysis. (C) 2020 Elsevier B.V. All rights reserved.
If you are interested in 202189-78-4, you can contact me at any time and look forward to more communication. Application In Synthesis of Bilastine.
Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles