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Pei, Chunzhe; Zong, Jiarui; Han, Shanglin; Li, Bin; Wang, Baiquan published an article about the compound: 7-Methoxy-1H-indole-3-carboxylic acid( cas:128717-77-1,SMILESS:O=C(C1=CNC2=C1C=CC=C2OC)O ).Synthetic Route of C10H9NO3. 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:128717-77-1) through the article.

The transition-metal-catalyzed direct carboxylation of an unactivated C-H bond is rarely reported, and no example of catalysis using abundant and cheap nickel has been reported. In this work, the first Ni-catalyzed direct carboxylation of an unactivated C-H bond under an atm. pressure of CO2 is reported. This method affords moderate to high carboxylation yields of various Me carboxylates under mild conditions. Preliminary mechanistic studies reveal that a Ni(0)-Ni(II)-Ni(I) catalytic cycle may be involved in this reaction.

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Research on new synthetic routes about 4897-25-0

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Related Products of 4897-25-0. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Rapid-mix studies on the anomalous radiosensitization of mammalian cells by 5-chloro-1-methyl-4-nitroimidazole. Author is Watts, M. E.; Hodgkiss, R. J.; Sehmi, D. S.; Woodcock, M..

5-Chloro-1-methyl-4-nitroimidazole (I) [4897-25-0] (0.1 mmol/dm3) gave a sensitizer enhancement ratio (SER) of 1.7 when irradiated under steady-state conditions with 250 kVp x-rays (dose rate 3.93 Gy/min) using V79 379A cells in Eagles MEM with or without 15% fetal calf serum. Irradiation with 25 MeV electrons in a rapid-mix apparatus with 0.15 mmol I/dm3 flowing through both tubes gave an SER of 1.5 in hypoxia. No change in SER was observed when air or O-saturated I solution (0.15 mmol/dm3) in Eagle’s MEM was added to cells irradiated in hypoxic I solution (0.15 mmol/dm3) 17 ms after irradiation was complete. The fact that adding O to prevent dehalogenation of the radical did not reduce the SER suggested that elimination of the ortho-substituted ‘leaving group’ is not responsible for the observed, anomalously high efficiency.

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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called A new look into the quantum chemical and spectroscopic investigations of 5-chloro-1-methyl-4-nitroimidazole, published in 2014-05-05, which mentions a compound: 4897-25-0, mainly applied to chloromethylnitroimidazole IR Raman vibrational assignment DFT; 5-Chloro-1-methyl-4-nitroimidazole; DFT; FT-Raman; FTIR; Fukui functions; NMR, Recommanded Product: 4897-25-0.

Optimized geometrical structural parameters, harmonic vibrational frequencies, natural bonding orbital anal. and frontier MOs are determined by B3LYP and B3PW91 methods. The exact geometry of 5-chloro-1-methyl-4-nitroimidazole is determined through conformational anal. The exptl. observed IR and Raman bands have been assigned and analyzed. The 13C and 1H NMR chem. shifts of the compound are investigated. The total electron d. and mol. electrostatic potentials are determined The electrostatic potential (electron + nuclei) distribution, mol. shape, size and dipole moments of the mol. have been displayed. The energies of the frontier MOs and LUMO-HOMO energy gap are measured. The possible electronic transitions of the mol. are studied by TD-DFT method along with the UV-Visible spectrum. The structure-activity relationship of the compound is also investigated by conceptual DFT methods.

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Compound(4556-23-4)Recommanded Product: Pyridine-4-thiol received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(Pyridine-4-thiol), if you are interested, you can check out my other related articles.

Recommanded Product: Pyridine-4-thiol. 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: Pyridine-4-thiol, is researched, Molecular C5H5NS, CAS is 4556-23-4, about The Synthesis of Pyridyl[2.2]paracyclophanes by Palladium-Catalyzed Cross-Coupling of Pyridine Sulfinates. Author is Mungalpara, Maulik N.; Plieger, Paul G.; Rowlands, Gareth J..

Substituted planar chiral pyridyl[2.2]paracyclophanes such as I were prepared by the palladium-catalyzed desulfinative cross-coupling of bromo[2.2]paracyclophanes and pyridine sulfinate salts. Yet the synthesis of many pyridine-substituted [2.2]paracyclophanes was more challenging than expected due to the instability of traditional coupling partners. Pyridine sulfinates offered a solution to this shortcoming, permitting pyridyl[2.2]paracyclophanes to be prepared from readily available bromo[2.2]paracyclophanes. Amine, bromine and ester substituted planar chiral pyridines that were hard to synthesize by other methods were formed but formation of (bis)pyridines was still problematic.

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The effect of reaction temperature change on equilibrium 4897-25-0

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Non-protein thiols and cellular response to drugs and radiation.Name: 5-Chloro-1-methyl-4-nitroimidazole.

The effects of misonidazole and other radiosensitizers on cellular nonprotein thiol (NPSH) levels were studied in Ehrlich ascites tumor and V-79 cells. The relative NPSH remaining after incubation under aerobic conditions with 0.1 mM drug for 0.5 h at 37° ranged from 0.01 for chlorodinitrobenzene to 0.88 for BSH (a sulfonylnitroimidazole) in tumor cells and from 0.01 for chlorodinitrobenzene to 0.82 for SR 2555 in V-79 cells. Possible mechanisms for NPSH removal are also discussed. Studies on compound reactivity with GSH in buffered solution showed 38087 (nitroimidazole derivative) to be most reactive, followed by MJL-1-191-VII, SK 21981, (both sulfamylnitroimidazoles), and CMNI (chloromethylnitroimidazole). The radiosensitizing effectiveness of dimethyl fumarate (DMF) used alone or in combination with misonidazole was also studied in hypoxic V-79 cells. DMF had little effect on the radiation response of hypoxic cells but the combination of DMF and misonidazole was more effective than either drug alone.

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Continuously updated synthesis method about 4556-23-4

Here is just a brief introduction to this compound(4556-23-4)COA of Formula: C5H5NS, more information about the compound(Pyridine-4-thiol) is in the article, you can click the link below.

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 4556-23-4, is researched, Molecular C5H5NS, about A Strategy for Constructing Pore-Space-Partitioned MOFs with High Uptake Capacity for C2 Hydrocarbons and CO2, the main research direction is gas adsorption enthalpy MOF hydrocarbon; 4,4′-dipyridylsulfide; gas adsorption; metal-organic frameworks; open metal sites; pore space partition.COA of Formula: C5H5NS.

Introduction of pore partition agents into hexagonal channels of MIL-88 type (acs topol.) endows materials with high tunability in gas sorption. Here, we report a strategy to partition acs framework into pacs (partitioned acs) crystalline porous materials (CPM). This strategy is based on insertion of in situ synthesized 4,4′-dipyridylsulfide (dps) ligands. One third of open metal sites in the acs net are retained in pacs MOFs; two thirds are used for pore-space partition. The Co2V-pacs MOFs exhibit near or at record high uptake capacities for C2H2, C2H4, C2H6, and CO2 among MOFs. The storage capacity of C2H2 is 234 cm3 g-1 (298 K) and 330 cm3 g-1 (273 K) at 1 atm for CPM-733-dps (the Co2V-BDC form, BDC = 1,4-benzenedicarboxylate). These high uptake capacities are accomplished with low heat of adsorption, a feature desirable for low-energy-cost adsorbent regeneration. CPM-733-dps is stable and shows no loss of C2H2 adsorption capacity following multiple adsorption-desorption cycles.

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Simple exploration of 4897-25-0

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 4897-25-0, is researched, Molecular C4H4ClN3O2, about Investigation of molecular structure, vibrational, electronic, NMR and NBO analysis of 5-chloro-1-methyl-4-nitro-1H-imidazole (CMNI) using ab initio HF and DFT calculations, the main research direction is mol structure vibrational electronic NMR NBO analysis chloromethylnitroimidazole.Quality Control of 5-Chloro-1-methyl-4-nitroimidazole.

This study represents the vibrational, electronic, NMR, NLO and structural aspects of 5-chloro-1-methyl-4-nitro-1H-imidazole (CMNI). A detailed interpretation of the FT-IR, FT-Raman, UV and NMR spectra were reported. Theor. calculations were performed by ab initio HF and d. functional theory (DFT)/B3LYP method using 6-311+G(d,p) basis sets. The electronic properties was also studied and the most prominent transition corresponds to π → π*. The lower frontier orbital gap of CMNI explains the eventual charge transfer interaction taking place within the mol. The stability and charge delocalization of the mol. was studied by natural bond orbital (NBO) anal. CMNI exhibited good nonlinear optical activity that was 11 times greater than that of urea. In addition, a mol. electrostatic potential map (MEP) of the title compound was studied for predicting the reactive sites.

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Safety of 5-Chloro-1-methyl-4-nitroimidazole. 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: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about A revisited structure for nitrosoprodenafil from NMR, mass spectrometry, X-ray and hydrolysis data. Author is Martino, Robert; Menendez, Christophe; Balayssac, Stephane; Martins-Froment, Nathalie; Lherbet, Christian; Couderc, Francois; Gilard, Veronique; Malet-Martino, Myriam.

The sildenafil analog adulterant previously identified as a nitroso derivative (nitrosoprodenafil) in a dietary supplement (DS) marketed to increase sexual performance and sold in Europe in the early 2010’s is the same as that found in the same type of DS available in Japan whose structure was established as a nitro derivative (mutaprodenafil or nitroprodenafil). Indeed, the compound isolated from the Man Power DS has identical UV, IR, NMR and MS spectroscopic characteristics and hydrolysis behavior than nitrosoprode-nafil. By revisiting its NMR assignments and MS and MS/MS data interpretation, it is demonstrated that the compound is actually a nitrothioimidazole-methisosildenafil hybrid, i.e. nitroprodenafil, whose structure is unequivocally confirmed by X-ray crystallog. and synthesis experiments Because the product is converted to methisosildenafil by hydrolysis, it is named nitropromethisosildenafil.

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 4556-23-4, is researched, Molecular C5H5NS, about Tuning the Surface-Passivating Ligand Anchoring Position Enables Phase Robustness in CsPbI3 Perovskite Quantum Dot Solar Cells, the main research direction is mercaptopyridine ligand posttreatment erovskite quantum dot solar cell.Category: nitriles-buliding-blocks.

Cubic CsPbI3 perovskite quantum dots (PQDs) with ideal optoelectronic properties are promising materials for solution-processed photovoltaics. However, their phase stability suffers from the weakly bound surface ligands. Here, we report the adoption of p-mercaptopyridine ligand post-treatment on PQDs and obtained enhanced electronic coupling and cubic phase robustness in comparison with the treatment using analogous o-mercaptopyridine and pyridine ligands. As a result, CsPbI3 PQDs solar cells achieved an efficiency of 14.25%. More importantly, the device stability was drastically improved, showing decent efficiency after storage under ambient conditions for ~70 days. We revealed that tuning of the anchoring position can facilely enhance the ligand binding strength and surface coverage, providing efficient ways to significantly improve the performance and stability of PQD-based optoelectronic devices.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Synthesis and biological activity of 4-amino-1-methyl-5-imidazolecarboxylic acid derivatives.Recommanded Product: 5-Chloro-1-methyl-4-nitroimidazole.

The synthesis and biol. evaluation of 4-amino- and 4-[(4-chlorobenzoyl)amino]-1-methylimidazole-5-(N-substituted)carboxamides are reported. The remarkable influence on some cellular immune and inflammatory responses were observed in the biol. in vitro and in vivo tests with leflunomide and ibuprofen as reference drugs, resp. The toxicity of the tested compounds on murine bone marrow cells was also determined The anti-inflammatory activity of 4-[(4-chlorobenzoyl)amino]-5-[N-(4-chlorophenyl)]-1-methyl-5-imidazolecarboxamide (I) was confirmed in vivo in the carrageenan-induced edema test. The comparison of the biol. activity of I and isosteric isothiazole derivative MR-2/94 suggests that the replacement of the isothiazole core ring system with an imidazole part results in a considerable lowering of toxicity while maintaining anti-inflammatory and immunotropic properties.

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