Quality Control of 2,4-Dimethyl-1H-pyrrole. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about A molecular design for a turn-off NIR fluoride chemosensor. Author is Wang, Xiaochen; Bai, Tianxin; Chu, Tianshu.
We designed a turn-off near-IR fluorescent fluoride chemosensor NIR-BODIPY-Si through the d. functional theory/time-dependent functional theory calculations In the designed sensor, the tert-butyldimethylsilyloxy moiety responses to the fluoride-triggered desilylation process, and the BODIPY dye serves as fluorophore. The mol. design firstly showed that the possibility of photoinduced electron transfer is low/high in NIR-BODIPY-Si/NIR-BODIPY-O (the desilylation product), thus referring that the fluorescence sensing mechanism is a photoinduced electron transfer mechanism that quenched the sensors fluorescence after detection of fluoride anions. Absorption and emission spectra further demonstrated that the designed sensor is a near-IR chemosensor. The largest binding energy between NIR-BODIPY-Si and F- suggests that the sensor has an excellent selectivity to F- and the low barrier of the desilylation reaction accounts for the sensor′s rapid response speed to F-. We also provided the synthetic routine for the mol. sensor, with the expectation that this mol. design can shed some light on the exptl. based design procedure.
This compound(2,4-Dimethyl-1H-pyrrole)Quality Control of 2,4-Dimethyl-1H-pyrrole was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.