Category: 625-82-1

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Chemical Communications (Cambridge, United Kingdom) called Alignment of supramolecular J-aggregates based on uracil-functionalized BODIPY dye for polarized photoluminescence, Author is Zhang, Yongjie; Liu, Ping; Pan, Hongfei; Dai, Haitao; Ren, Xiang-Kui; Chen, Zhijian, which mentions a compound: 625-82-1, SMILESS is CC1=CNC(C)=C1, Molecular C6H9N, Reference of 2,4-Dimethyl-1H-pyrrole.

A BODIPY dye functionalized with uracil-ethynyl groups at the 2,6-positions supramolecularly polymerized into J-aggregates directed by intermol. H-bonds and featured intense absorption and resonant fluorescence. The alignment of J-aggregated chromophores in a thin film was achieved by a rubbing method and polarized luminescence with a dichroic ratio up to 14.3 was obtained.

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Recommanded Product: 2,4-Dimethyl-1H-pyrrole. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about Synthesis and application of water-soluble reaction-based boron-dipyrromethene (BODIPY) probes for fluorescent detection of peroxynitrite with high selectivity. Author is Zhao, Xiaolong; Li, Na; Liu, Fayu; Gao, Chao; Feng, Jiubiao; Liu, Leping; Guan, Xiaolin; Yan, Na.

Two reaction-based water-soluble boron-dipyrromethene (BODIPY) fluorescent probes, Ac-Phe-BODIPY and Ac-BODIPY, were developed for peroxynitrite (ONOO-) measurement. High sensitivity, low detection limit and excellent selectivity toward ONOO- were obtained for determining reactive oxygen species (ROS) and reactive nitrogen species (RNS). The reaction-based probe Ac-Phe-BODIPY was hydrolyzed into BODIPY-1 which was isolated by column chromatog. and proved by 1H NMR and ESI-MS. The characterization results revealed the photoinduced electron transfer (PET) mechanism which was simultaneously in agreement with d. functional theory (DFT) calculation

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 2,4-Dimethyl-1H-pyrrole( cas:625-82-1 ) is researched.Reference of 2,4-Dimethyl-1H-pyrrole.Hou, Yuqi; Kurganskii, Ivan; Elmali, Ayhan; Zhang, Huimin; Gao, Yuting; Lv, Lingling; Zhao, Jianzhang; Karatay, Ahmet; Luo, Liang; Fedin, Matvey published the article 《Electronic coupling and spin-orbit charge transfer intersystem crossing (SOCT-ISC) in compact BDP-carbazole dyads with different mutual orientations of the electron donor and acceptor》 about this compound( cas:625-82-1 ) in Journal of Chemical Physics. Keywords: triplet annihilation upconversion delayed fluorescence BOPIDY photoinduced charge transfer. Let’s learn more about this compound (cas:625-82-1).

In order to study the spin-orbit charge transfer induced intersystem crossing (SOCT-ISC), Bodipy (BDP)-carbazole (Cz) compact electron donor/acceptor dyads were prepared Charge transfer (CT) emission bands were observed for dyads showing strong electronic coupling between the donor and the acceptor (coupling matrix elements VDA, 0.06 eV-0.18 eV). Depending on the coupling magnitude, the CT state of the dyads can be either dark or emissive. Equilibrium between the 1LE (locally excited) state and the 1CT state was confirmed by temperature-dependent fluorescence studies. Efficient ISC was observed for the dyads with Cz connected at the meso-position of the BDP. Interestingly, the dyad with non-orthogonal geometry shows the highest ISC efficiency (ΦΔ = 58%), which is different from the previous conclusion. The photo-induced charge separation (CS, time constant: 0.7 ps) and charge recombination (CR, ∼3.9 ns) were studied by femtosecond transient absorption spectroscopy. Nanosecond transient absorption spectroscopy indicated that the BDP-localized triplet state was exceptionally long-lived (602μs). Using pulsed laser excited time-resolved ESR spectroscopy, the SOCT-ISC mechanism was confirmed, and we show that the electron spin polarization of the triplet state is highly dependent on the mutual orientation of the donor and acceptor. The dyads were used as triplet photosensitizers for triplet-triplet-annihilation (TTA) upconversion, and the quantum yield is up to 6.7%. TTA-based delayed fluorescence was observed for the dyads (τDF = 41.5μs). The dyads were also used as potent photodynamic therapy reagents (light toxicity of IC50 = 0.1μM and dark toxicity of IC50 = 70.8μM). (c) 2020 American Institute of Physics.

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Name: 2,4-Dimethyl-1H-pyrrole. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about A Nano-BODIPY Encapsulated Zeolitic Imidazolate Framework As Photoresponsive Integrating Antibacterial Agent.

Drug-resistant bacteria challenge the antimicrobial agents and antibacterial strategy. To develop environmental friendly smart technol. for treating pathogens, we report a kind of photoactivated nano-BODIPY (BCNBA@ZIF). First BODIPY compound (BC) was synthesized by coupling phenethyl caffeate (CAPE) with brominated BODIPY through B-O bonds. Next, BC was encapsulated in ZIF-8 together with 2-nitrobenzaldehyde (o-NBA) to form photoactivated BCNBA@ZIF nanoparticles. TEM confirm the structural change of BCNBA@ZIF after illumination. BCNBA@ZIF is less toxic to cells without illumination. Under illumination of blue LED light, the BCNBA@ZIF worked as a photoacid generator initiating the damage of ZIF shell with the release of BC, metal ions, and the production of singlet oxygen for achieving multifunctional antibacterial uses. Therefore, BCNBA@ZIF is a kind of photodriven smart “”Domino”” agent for bacterial inhibition.

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Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Name: 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 Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects. Author is Sia, Rengel Cane E.; Arellano-Reyes, Ruben Arturo; Keyes, Tia E.; Guthmuller, Julien.

The radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck-Condon (FC), Herzberg-Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and for the radiative lifetime. The transition energies, spectra shapes and radiative lifetime are assessed with respect to exptl. results. It is found that the TDDFT transition energies are overestimated by about 0.4-0.5 eV, whereas EOM-CCSD improves the vertical emission energy by about 0.1 eV in comparison to TDDFT. The solvatochromic and Stokes shifts are better reproduced by the state-specific solvation methods, which show that these methods are more suited than the LR model to describe the solvent effects on the BODIPY dye. The vibronic effects lead to an increase of the radiative lifetime of about 0.4 to 1.0 ns depending on the theor. approach, which highlights the importance of such effects. Moreover, the HT effects are negligible on both the spectra and lifetime, which demonstrates that the FC approximation is accurate for the BODIPY dye. Finally, the comparison with exptl. data shows that the radiative lifetimes predicted by EOM-CCSD and TDDFT have comparable accuracy.

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Pyridine – Wikipedia,
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Barut, Burak; Coban, Ozlem; Yalcin, Can Ozgur; Bas, Huseyin; Sari, Suat; Biyiklioglu, Zekeriya; Demirbas, Umit; Ozel, Arzu published an article about the compound: 2,4-Dimethyl-1H-pyrrole( cas:625-82-1,SMILESS:CC1=CNC(C)=C1 ).Category: pyridine-derivatives. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:625-82-1) through the article.

A new series of BODIPY 3 and 6 with two dimethylamino and diethylamino moieties at their 3,5-positions were prepared via Knoevenagel condensation of BODIPY 2 and 5 with 3,4-bis{3-[3-(dimethylamino)phenoxy]propoxy}benzaldehyde and 4-{3-[3-(dimethylamino)phenoxy]propoxy}benzaldehyde. Water soluble BODIPY-3a and BODIPY-6a were synthesized by treating BODIPY 3 and 6 with an excess of CH3-I in DMF. Singlet oxygen quantum yields, DNA binding and cleavage, topoisomerase II inhibition and photodynamic therapy activities of two cationic BODIPY derivatives (BODIPY-3a and BODIPY-6a) were examined utilizing different methods. The singlet oxygen quantum yield values of compounds were found to be 0.07 and 0.13 in TBS. BODIPY-3a and BODIPY-6a interacted with CT-DNA with Kb values of 5.18±(0.15) × 103 and 2.88±(0.05) × 103 M-1, resp. The agarose gel electrophoresis experiments indicated that BODIPY-3a and BODIPY-6a had marked photocleavage activities on supercoiled plasmid DNA. The topoisomerase II inhibition studies showed that BODIPY-6a had higher inhibitory effect than BODIPY-3a, which was in line with the theor. DNA-topoisomerase complex binding studies via mol. docking method. Based on MTT assay results, the IC50 values of BODIPY-3a and BODIPY-6a ranged from > 100μM to 27.20μM for 24, 48 and 72 h without and with light irradiation Finally, LpBODIPY-6a and NpBODIPY-6a were prepared and their cytotoxic and phototoxic properties were determined using MTT assay. The IC50 values of LpBODIPY-6a were found > 100μM and 33.63μM, while the IC50 values of NpBODIPY-6a were 26.01μM and 5.66μM without/with irradiation The presented studies suggested that nanoparticle formulation was found the most promising delivery vehicle for BODIPY-6a.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Safety of 2,4-Dimethyl-1H-pyrrole. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about p-Pyridine BODIPY-based fluorescence probe for highly sensitive and selective detection of picric acid. Author is Li, Hongda; Jia, Rulin; Wang, Yan.

A novel fluorescence probe p-PBP (I) for PA was synthesized based on a basic N atom as the electronic donor. The probe could detect PA over TNT, CE, PETN, RDX, HMX, NB, NT, DNT, NP, DNP, and common inorganic explosive ions (K+, Ba2+, NH+4, NO-3, ClO-3, and ClO-4), and common ions (Na+, Ca2+, and Mg2+) with high selectivity. The fluorescence quenching was attributed to the photo-induced electron transfer (PET) processes from the excited state of p-PBP to the ground state PA. The detection limit of probe p-PBP for PA was as low as 13.06 nmol/L, which is far lower than the concentration stipulated by the Environmental quality standards for surface water. The response time was less than 30 s. Hence, the fluorescence probe p-PBP was successfully developed to detect the concentration level of PA in real samples, which would provide a novel quant. anal. method of PA in forensic science.

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Liu, Yingfan; Li, Xiaochuan; Sun, Saisai; Ji, Guangqian; Son, Young-A. published an article about the compound: 2,4-Dimethyl-1H-pyrrole( cas:625-82-1,SMILESS:CC1=CNC(C)=C1 ).Name: 2,4-Dimethyl-1H-pyrrole. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:625-82-1) through the article.

C14H15B2F4I2N4, triclinic, P1[n.772] (number 2), a = 7.5458(7) Å, b = 8.5659(6) Å, c = 8.6089(5) Å, α = 108.189(6)°, β = 110.492(7)°, γ = 98.678(7)°, V = 473.6 Å3, Z = 1, Rgt(F) = 0.0334, wRref(F2) = 0.0831, T = 296.5 K.CCDC number: 1831891. The title compound was synthesized from commerically available 2,4-dimethylpyrrole as the literature described, The key intermediate BOPHY (bis(difluoroboron) l,2-bis((lH- pyrrol-2-yl)methylene)hydrazine) was obtained by three steps including Vilsmeier-Haack formylation, amidation, and com- plexation. The title compound was synthesized according to the following procedure. In ethanol 50 mL, BOPHY 338 mg (1.0 mmol), iodine 635 mg (2.5 mmol), and hydroiodic acid 352 mg (2.0 mmol) were mixed. Then it was heated to be refluxed in the dark, resulting in a deep-red solution Once the BOPHY disappeared on the TLC plate, the reaction mixture was quenched by water 50 mL. After a succesive washing, extraction, concentration, and purification, a yellow powder was obtained (500 mg, 85%). Crystals were obtained by slow evaporation within 5 days.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2,4-Dimethyl-1H-pyrrole(SMILESS: CC1=CNC(C)=C1,cas:625-82-1) is researched.Formula: C3H3ClN2O2S. The article 《8-[4-(2-Hydroxypropane-2-yl)phenyl]-1,3,4,4,5,7-hexamethyl-4-boron-3a,4a-diaza-S-indacene》 in relation to this compound, is published in Molbank. Let’s take a look at the latest research on this compound (cas:625-82-1).

During recent years, the BODIPY core became a popular scaffold for designing photoremovable protecting groups (PPG). In this paper, we report the synthesis of a new mol.-8-[4-(2-hydroxypropane-2-yl)phenyl]-1,3,4,4,5,7-hexamethyl-4-boron-3a,4a-diaza-S-indacene-by the treatment of meso-(4-CO2Me-phenyl)-BODIPY with excess of MeMgI. The product was characterized by 1H, 13C NMR and HRMS. The combination of BODIPY core with tertiary benzilyc alc. might be promising for utilizing this mol. as visible light removable PPG.

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Wang, Lingfeng; Qian, Ying published the article 《Near-infrared quinoline-fluoroborodipyrrole dye: synthesis and lysosomal fluorescence imaging》. Keywords: near IR quinoline fluoroborodipyrrole dye lysosomal fluorescent imaging synthesis.They researched the compound: 2,4-Dimethyl-1H-pyrrole( cas:625-82-1 ).SDS of cas: 625-82-1. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:625-82-1) here.

A near-IR region (NIR) fluoroborodipyrrole fluorescent dye (QBOP-lys) was synthesized through Knoevenagel condensation reaction. The D-A configuration of the QBOP-lys dyes was conjugated by two p-morpholine styrene with one 8-hydroxyquino BODIPY structure. This QBOP-lys dye has been characterized by NMR and high resolution mass spectrometry. In DMSO (DMSO) solution, the maximum absorption wavelength of QBOP-lys was at 698 nm and its molar extinction coefficient was 5.9×104 L·mol-1·cm-1, the maximum emission wavelength was at 770 nm and its stokes shift was 73 nm. Besides that, QBOP-lys has been prepared as water-soluble nano-silica fluorescent nanoparticles (QBOP-lys/SiO2). The maximum emission wavelength of QBOP-lys/SiO2 was 726 nm in pure aqueous solution and the fluorescence quantum of QBOP-lys/SiO2 was 0.33, which made QBOP-lys have good near-IR fluorescence emission characteristics in organic solvents or pure water. On the other hand, QBOP-lys was also used for lysosomal imaging in SGC-7901 cells, the colocalization coefficient of dye QBOP-lys with Lyso-Tracker Green, a com. lysosomal green dye, was up to 0.9. Besides that, after QBOP-lys incubate with cells SGC-7901 for 48 h, it could still maintain good fluorescence imaging performance which could be used for long-term tracking imaging. The spectroscopy experiments and cell experiments both proved that dye QBOP-lys was a very promising NIR dye in future application.

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