Tag: M.W:400-500

COA of Formula: C28H26N4O. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 2,9-Dimethyl-1,10-phenanthroline hemihydrate, is researched, Molecular C28H26N4O, CAS is 34302-69-7, about Capturing and analyzing the excited-state structure of a Cu(I) phenanthroline complex by time-resolved diffraction and theoretical calculations. Author is Vorontsov, Ivan I.; Graber, Tim; Kovalevsky, Andrey Yu.; Novozhilova, Irina V.; Gembicky, Milan; Chen, Yu-Sheng; Coppens, Philip.

Time-resolved crystallog. and d. functional theory calculations are used to analyze the geometric and electronic changes that occur upon photoexcitation of [Cu(I)(dmp)(dppe)]+ in crystalline [Cu(I)(dmp)(dppe)][PF6] [dmp = 2,9-dimethyl-1,10-phenanthroline; dppe = 1,2-bis(diphenylphosphino)ethane]. In the pump-probe experiment, laser and X-ray pulses are synchronized to capture an image of the instantaneous mol. distortions in the transient triplet state. Parallel theor. calculations, with the Ph groups replaced by Me groups, yield information on the distortion of the isolated cation and the change in electron d. upon excitation. The exptl. distortions are significantly less than the calculated values and are different for the two independent mols. in the asym. unit; these findings are attributed to the constraining influence of the crystal matrix. The calculations indicate that the electron transfer upon excitation is mostly from the dmpe ligand to the dmp ligand, while the Cu at. charge changes by only ∼+0.1e, although the charge distribution on Cu is significantly affected. As found for homoleptic [Cu(I)(dmp)2]+, the change in the population of the Cu atom is close to the calculated difference between the corresponding Cu(II) and Cu(I) complexes. Charge d. difference maps confirm these conclusions and show a large rearrangement of the electron d. on the Cu atom upon excitation.

In some applications, this compound(34302-69-7)COA of Formula: C28H26N4O is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

Reference:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Reference of 103146-26-5, These common heterocyclic compound, 103146-26-5, name is 4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile hydrobromide, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

The hydrobromide salt of racemic 4-[4-(dimethylamino)-1-(4′-fluorophenyl)-1-hydroxy-butyl]-3-(hydroxymethyl)-benzonitrile (50 g) was placed into a round bottom flask. Ethyl acetate (125 mL) was added and the mixture was stirred at 25-35 C. Aqueous sodium carbonate solution (19 g in 125 mL water) was added and the mixture was stirred at about 25-35 C. for 20 minutes. The layers were separated. The aqueous layer was extracted with ethyl acetate (125 mL). The organic layers were combined and washed with water (125 mL) followed by 10% sodium chloride solution (125 mL). The organic layer was evaporated under reduced pressure.

The synthetic route of 103146-26-5 has been constantly updated, and we look forward to future research findings.