Month: April 2022

Related Products of 58656-04-5. 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: Tricyclohexylphosphonium tetrafluoroborate, is researched, Molecular C18H34BF4P, CAS is 58656-04-5, about Modular Establishment of a Diketopyrrolopyrrole-Based Polymer Library via Pd-Catalyzed Direct C-H (Hetero)arylation: a Highly Efficient Approach to Discover Low-Bandgap Polymers. Author is Guo, Qiang; Dong, Jiaxing; Wan, Danyang; Wu, Di; You, Jingsong.

A concise, highly efficient palladium-catalyzed direct C-H (hetero)arylation is developed to modularly assemble a diketopyrrolopyrrole (DTDPP)-based polymer library to screen low-bandgap and near-IR (NIR) absorbing materials. The copolymers of 2,5-bis(2-octyldodecyl)-3,6-bis(thieny-2-yl)pyrrolo[3,4-c]pyrrole-1,4-dione (I) with 4,7-dibromo-2,1,3-benzothiadiazole (II) or 5,8-dibromoquinoxaline (III) having an alternating donor-acceptor-donor-acceptor (D-A-D-A) sequence and the 2,5-bis(2-octyldodecyl)-3,6-bis(5-bromothieny-2-yl)pyrrolo[3,4-c]pyrrole-1,4-dione homopolymer (IV) exhibit planarity and excellent π-conjugation, which lead to low bandgaps (down to 1.22 eV) as well as strong and broad NIR absorption bands (up to 1000 nm). The copolymers of I with 2,7-dibromo-N-(2-octyldodecyl)carbazole (V), 3,6-dibromo-N-octylcarbazole, 2,7-dibromo-9,9-dioctylfluorene (VI), 4,4′-dibromostilbene, 4,4′-dibromo-1,1′-biphenyl, 1,4-dibromo-2,5-dioctyloxybenzene (VII), 2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene, or 2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2-octyldodecyl)carbazole showed a highly distorted conformation. The HOMO and LUMO were delocalized over the entire conjugated backbones of I-II copolymer, I-III copolymer, and IV in comparison with localized lobes mainly on the acceptor units of the backbones of I-V, I-VI, and I-VII copolymers.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Category: imidazoles-derivatives. 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: 1-(2-Bromophenyl)-1H-pyrazole, is researched, Molecular C9H7BrN2, CAS is 87488-84-4, about Ruthenium-Catalyzed Reductive Cleavage of Unstrained Aryl-Aryl Bonds: Reaction Development and Mechanistic Study. Author is Zhu, Jun; Chen, Peng-hao; Lu, Gang; Liu, Peng; Dong, Guangbin.

Cleavage of carbon-carbon bonds has been found in some important industrial processes, e.g. petroleum cracking, and has inspired development of numerous synthetic methods. However, non-polar unstrained C(aryl)-C(aryl) bonds remain one of the toughest bonds to be activated. As a detailed study of a fundamental reaction mode, here a full story is described about the development of a Ru-catalyzed reductive cleavage of unstrained C(aryl)-C(aryl) bonds. A wide range of biaryl compounds that contain directing groups (DGs) at 2,2′ positions can serve as effective substrates. Various heterocycles, such as pyridine, quinoline, pyrimidine and pyrazole, can be employed as DGs. Besides hydrogen gas, other reagents, such as Hantzsch ester, silanes and alcs., can be employed as terminal reductants. The reaction is pH neutral and free of oxidants, thus a number of functional groups are tolerated. Notably, a one-pot C-C activation/C-C coupling has been realized. Computational and exptl. mechanistic studies indicate that the reaction involves a ruthenium(II) monohydride-mediated C(aryl)-C(aryl) activation and the resting state of the catalyst is a η4-coordinated ruthenium(II) dichloride complex, which could inspire development other transformations based on this reaction mode.

From this literature《Ruthenium-Catalyzed Reductive Cleavage of Unstrained Aryl-Aryl Bonds: Reaction Development and Mechanistic Study》,we know some information about this compound(87488-84-4)Category: imidazoles-derivatives, but this is not all information, there are many literatures related to this compound(87488-84-4).

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

SDS of cas: 3724-19-4. 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: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Experimental spectroscopic, Quantum computational, Hirshfeld surface and molecular docking studies on 3-Pyridinepropionic acid. Author is Savita, Sandhya; Fatima, Aysha; Garima, Km.; Pooja, Km.; Verma, Indresh; Siddiqui, Nazia; Javed, Saleem.

3-Pyridine propionic acid (3-PPIA) was studied exptl. by UV-Vis, 1H NMR, 13C NMR spectroscopy and Quantum computationally by d. functional theory approach. The B3LYP/6-311++G(d,p) basis set used to get the optimized structure, vibrational frequencies, and other various parameters. Calculated bond lengths and angles were compared with the exptl. bond lengths and Bond angle Parameters. 3D Hirshfeld surface and 2D fingerprint plots were drawn by using Crystal Explorer software. The HOMO/LUMO energy gap results indicated that, adequate charge transfer was happening within the mol. ELF was drawn to find the degree of relative localization of electrons. The NBO anal. was done to study donor and acceptor interactions. The MEP surface was drawn in 3-D color coding and Fukui functions were analyzed to find possible sites to attack by different substituents. TD-DFT method and PCM solvent model was employed for electronic property anal. such as UV-Vis (in gas phase, ethanol and DMSO) and compared with the exptl. UV-Vis spectra done in DMSO and Methanol. 2D Hirshfeld surface was drawn to study intermol. interactions in detail and 2D finger print plots were drawn for anal. of percentage of interaction in between atoms, it revealed that 3-PPIA was stabilized mainly by formation of H-H/H-O/C-H contacts. The drug-likeness study was carried out on the ligand mol. and its derivatives, indicated drug like nature of 3-PPIA. Mol. docking was done to study interaction between ligand and proteins with two protein receptors 4JIR and 5OUO, and found binding energies-6.6 and -6.2 kcal/mol, showed to have potential application in the medical field. This study could be used in the future for further development of pharmacol. active based on 3-pyridinepropionic acid.

There is still a lot of research devoted to this compound(SMILES：OC(=O)CCC1=CC=CN=C1)SDS of cas: 3724-19-4, and with the development of science, more effects of this compound(3724-19-4) can be discovered.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Computed Properties of C8H9NO2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Highly efficient N-heterocyclic carbene/ruthenium catalytic systems for the acceptorless dehydrogenation of alcohols to carboxylic acids: effects of ancillary and additional ligands. Author is Wang, Wan-Qiang; Cheng, Hua; Yuan, Ye; He, Yu-Qing; Wang, Hua-Jing; Wang, Zhi-Qin; Sang, Wei; Chen, Cheng; Verpoort, Francis.

The transition-metal-catalyzed alc. dehydrogenation to carboxylic acids has been identified as an atom-economical and attractive process. Among various catalytic systems, Ru-based systems have been the most accessed and investigated ones. With our growing interest in the discovery of new Ru catalysts comprising N-heterocyclic carbene (NHC) ligands for the dehydrogenative reactions of alcs., we designed and prepared five NHC/Ru complexes ([Ru]-1-[Ru]-5) bearing different ancillary NHC ligands. Moreover, the effects of ancillary and addnl. ligands on the alc. dehydrogenation with KOH were thoroughly explored, followed by the screening of other parameters. Accordingly, a highly active catalytic system, which is composed of [Ru]-5 combined with an addnl. NHC precursor L5, was discovered, affording a variety of acid products in a highly efficient manner. Gratifyingly, an extremely low Ru loading (125 ppm) and the maximum TOF value until now (4800) were obtained.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 3229-00-3, is researched, SMILESS is BrCC(CBr)(CBr)CBr, Molecular C5H8Br4Journal, Zeitschrift fuer Naturforschung, Teil A: Astrophysik, Physik und Physikalische Chemie called Vibrational spectra of pentaerythritol derivatives. I. Vibrational spectra and normal coordinate treatment of tetrahalides of pentaerythritol, Author is Geiseler, Gerhard; Ratz, Lothar, the main research direction is PENTAERYTHRITYL HALIDE SPECTRA.Recommanded Product: Pentaerythrityltetrabromide.

The ir absorption spectra (4000-400 cm.-1) and the Raman spectra of the pentaerythrityl halides have been examined By comparison with the spectra of similar compounds and by a normal coordinate analysis with the aid of the Wilson GF-matrix method and on the basis of a modified valence force field, it was possible to assign a great deal of the normal vibration. The influence of the halogen atoms on the frequency of characteristic vibrations was discussed.

There is still a lot of research devoted to this compound(SMILES：BrCC(CBr)(CBr)CBr)Recommanded Product: Pentaerythrityltetrabromide, and with the development of science, more effects of this compound(3229-00-3) can be discovered.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem