Heterocyclic Building Blocks-Oxazolidine

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Cupric bromide( cas:7789-45-9 ) is researched.Quality Control of Cupric bromide.Richaud, Arlette; Mendez, Francisco; Barba-Behrens, Norah; Florian, Pierre; Medina-Campos, Omar N.; Pedraza-Chaverri, Jose published the article 《Electrophilic Modulation of the Superoxide Anion Radical Scavenging Ability of Copper(II) Complexes with 4-Methyl Imidazole》 about this compound( cas:7789-45-9 ) in Journal of Physical Chemistry A. Keywords: copper methylimidazole complex preparation superoxide dismutase model DFT; crystal structure copper methylimidazole complex. Let’s learn more about this compound (cas:7789-45-9).

Three Cu(II) coordination compounds with 4-Me imidazole were obtained, such as [Cu(C4H6N2)4(NO3)2], [Cu(C4H6N2)4Br2], and [Cu(C4H6N2)4Cl2]. Crystallog. studies confirmed their structural similarity with Cu(II) in the active site of endogenous copper-zinc superoxide dismutase (CuZn-SOD). The superoxide anion radical (O2•-) scavenging activity was evaluated by the non-enzymic exptl. assay and followed the trend [Cu(C4H6N2)4(NO3)2] > [Cu(C4H6N2)4Br2] > [Cu(C4H6N2)4Cl2]. The d. functional theory and the hard and soft acids and bases principle showed the importance of the electron-deficient character of Cu(II) in the chem. reactivity of the coordination compounds; Cu(II) is the softest site in the mol. and it is preferred for the nucleophilic and radical attacks of the soft O2•-. A simple rule was obtained: “”the electron-deficient character of Cu(II) is the key index for the O2•- scavenging activity and is modulated by the electron-releasing counteranion effect on the coordination compound””.

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Oxazolidine – Wikipedia,
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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: Cupric bromide, is researched, Molecular Br2Cu, CAS is 7789-45-9, about Magnetically induced polarization in centrosymmetric bonds.Safety of Cupric bromide.

The behavior of elec. polarization is related to intrinsic symmetry properties of position operator [Formula Omitted] in the basis of Kramers doublet states: for each bond, the 2 × 2 matrix [Formula Omitted] is decomposed in terms of the unity 1̂ and Pauli matrixes σ̂ = (σ̂x, σ̂y, σ̂z) with the real vector coefficients ([Formula Omitted]), reflecting the fact that [Formula Omitted] is spinless. In the Mott insulating state of multiferroics, the polarization [Formula Omitted] is given by the all possible products of ([Formula Omitted]) and the scalar coefficients (t0ij, tij) obtained from a similar decomposition of the transfer integrals t̂ij = t0ij 1̂ + itijσ̂. Among them, the antisym. product [Formula Omitted], which couples to the spin current, remains finite even if the bond is centrosym., thus permitting finite [Formula Omitted] for noncollinear spins. The relative orientation of the bond vector (∈ij), spin vectors (ei and ej), and [Formula Omitted] depends on the symmetry of the Kramers states and is not limited to the phenomenol. law [Formula Omitted]. The proposed generalized spin-current theory is successfully applied to spiral magnets CuCl2, CuBr2, CuO, and α-Li2IrO3.

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Csenki, Janos T.; Meszaros, Adam; Gonda, Zsombor; Novak, Zoltan published the article 《Stereoselective Direct N-Trifluoropropenylation of Heterocycles with a Hypervalent Iodonium Reagent》. Keywords: azole trifluoroisopropenyl iodonium trifluoromethanesulfonate diastereoselective trifluoropropenylation; trifluoropropenyl azole preparation; Michael addition; enamines; iodonium salt; nitrogen heterocycles; trifluoromethyl.They researched the compound: 2,6-Dichloropurine( cas:5451-40-1 ).Name: 2,6-Dichloropurine. 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:5451-40-1) here.

The availability and synthesis of fluorinated enamine derivatives such as N-(3,3,3-trifluoropropenyl)heterocycles are challenging, especially through direct functionalization of the heterocyclic scaffold. Herein, a stereoselective N-trifluoropropenylation method based on the use of a bench-stable trifluoropropenyl iodonium salt was described. This reagent enabled the straightforward trifluoropropenylation of various N-heterocycles under mild reaction conditions, providing trifluoromethyl enamine type moieties with high stereoselectivity and efficiency.

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Oxazolidine – Wikipedia,
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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about Synthesis, Crystal Structure, and DFT Study of a New Compound 6-(2-Fluorophenyl)-N-(p-Tolyl)Imidazo[1,2-a]Pyridine-2-Carboxamide, the main research direction is imidazopyridine preparation conformer hydrogen bond HOMO crystal structure.Application In Synthesis of Ethyl 3-bromo-2-oxopropanoate.

6-(2-Fluorophenyl)-N-(p-tolyl)imidazo[1,2-a]pyridine-2-carboxamide is an organic intermediate having both functions of azabicyclo and amide groups. In this paper, the title compound is obtained by the ring closure reaction, the Suzuki reaction, the hydrolysis and amidation reactions. The structure of the compound is confirmed by FT-IR, lH NMR, 13C NMR spectroscopy, and MS. At the same time, a single crystal of the title compound is measured by X-ray diffraction and subjected to crystallog. and conformational analyses. The mol. structure is further calculated using d. functional theory (DFT) and compared with the X-ray diffraction value. The results of the conformation anal. indicate that the mol. structure optimized by DFT is consistent with the crystal structure determined by single crystal X-ray diffraction. In addition, the mol. electrostatic potential and frontier MOs of the title compound are further investigated using DFT, revealing some physicochem. properties of the compound

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Formula: C5H2Cl2N4. 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: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Neuroprotective potential of adenosine A1 receptor partial agonists in experimental models of cerebral ischemia. Author is Martire, Alberto; Lambertucci, Catia; Pepponi, Rita; Ferrante, Antonella; Benati, Nicholas; Buccioni, Michela; Dal Ben, Diego; Marucci, Gabriella; Klotz, Karl-Norbert; Volpini, Rosaria; Popoli, Patrizia.

Cerebral ischemia is the second most common cause of death and a major cause of disability worldwide. Available therapies are based only on anticoagulants or recombinant tissue plasminogen activator. Extracellular adenosine increases during ischemia and acts as a neuroprotective endogenous agent mainly by activating adenosine A1 receptors (A1Rs) which control calcium influx, glutamate release, membrane potential, and metabolism Accordingly, in many exptl. paradigms it has been already demonstrated that the stimulation of A1R with full agonists is able to reduce ischemia-related structural and functional brain damage; unfortunately, cardiovascular side effects and desensitization of A1R induced by these compounds have strongly limited their exploitation in stroke therapy so far. Among the newly emerging compounds, A1R partial agonists could be almost free of side effects and equally effective. Therefore, we decided to evaluate the neuroprotective potential of two A1R partial agonists, namely 2′-dCCPA and 3′-dCCPA, in in vitro and ex vivo exptl. models of cerebral ischemia. Within the exptl. paradigm of oxygen-glucose deprivation in vitro in human neuroblastoma (SH-SY5Y) cells both A1R partial agonists increased cell viability. Considering the high level of expression of A1Rs in the hippocampus and the susceptibility of CA1 region to hypoxia, we performed electrophysiol. experiments in this subfield. The application of 7 min of oxygen-glucose deprivation constantly produces an irreversible synaptic failure in all the C57Bl/6 mice hippocampal slices evaluated; both tested compounds allowed a significant recovery of synaptic transmission. These findings demonstrate that A1R and its partial agonists are still of interest for cerebral ischemia therapy. Open Science Badges : This article has received a badge for *Open Materials* because it provided all relevant information to reproduce the study in the manuscript. The complete Open Science Disclosure form for this article can be found at the end of the article. More information about the Open Practices badges can be found at https://cos.io/our-services/open-science-badges/.

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Oxazolidine – Wikipedia,
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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 Calorimetric and theoretical investigation of heat effects and reaction kinetics for nitration of 2-methyl-4,6-dihydroxypyrimidine (MDP), published in 2012-09-30, which mentions a compound: 1194-22-5, mainly applied to calorimetric theor heat kinetics nitration methyldihydroxypyrimidine MDP, COA of Formula: C5H6N2O2.

The thermal effects accompanying the process of nitration of 2-methyl-4,6-dihydroxypyrimidine (MDP) were studied. Measurements were performed using a reaction calorimeter DRC Evolution delivered by Setaram. The heat of solution of MDP in concentrated sulfuric acid (95%), the heat of mixing of nitric acid (100%) with sulfuric acid (95%) and the heating effect of nitration of MDP in a mixture of nitric and sulfuric acids were measured. The heat of solution of MDP was 95 ± 3 kj/mol, while the total heat effect of nitration MDP was 392 ± 9 kj/mol. The measured heat of solution of acids was 34 ± 2 kJ/mol HNO3. Anal. of literature data and own research allowed us to propose the model of kinetics for nitration of MDP. The model was used to simulate phenomena and reactions running in the reaction calorimeter. The exptl. data were compared with modeling results. The parameters of the rate constants of reactions running in the calorimeter were determined as a model for preparation of 1,1-diamino-2,2-dinitroethene (DADNE).

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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.Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet researched the compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone( cas:67914-60-7 ).Application In Synthesis of 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone.They published the article 《1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone》 about this compound( cas:67914-60-7 ) in Acta Crystallographica, Section E: Structure Reports Online. Keywords: hydroxyphenylpiperazinylethanone crystal structure. We’ll tell you more about this compound (cas:67914-60-7).

In the title compound, C12H16N2O2, the piperazine ring has a chair conformation. The dihedral angle between the mean planes of the benzene ring and the acetyl group is 48.7 (1)°. In the crystal, mols. are linked via O-H···O hydrogen bonds, forming chains propagating along [010].

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Ghazvini, Maryam; Sheikholeslami-Farahani, Fatemeh; Hamedani, Naghmeh Faal; Shahvelayati, Ashraf Sadat; Rostami, Zohreh published the article 《Bio-Fe3O4 Magnetic Nanoparticles Promoted Green Synthesis of thioxo-1,3-Oxazole Derivatives: Study of Antimicrobial and Antioxidant Activity》. Keywords: furooxazole thioxo preparation green chem antioxidant antibacterial activity; bromo ketone isothiocyanate multicomponent reaction ferrimagnetic magnetite nanocatalyst; 2-thioxo-1; 3-oxazole; Alkyl (aryl) isothiocyanates; Alkyl bromides; Fe3O4-MNPs; Orange peel extract; antioxidant ability.They researched the compound: Ethyl 3-bromo-2-oxopropanoate( cas:70-23-5 ).SDS of cas: 70-23-5. 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:70-23-5) here.

In this work, 1,3-oxazoles I (R = COOEt, 4-methoxyphenyl, 4-methylphenyl, 4-bromophenyl; R1 = t-Bu, 4-methoxyphenyl, 4-nitrophenyl; R2 = COOEt, 4-methoxyphenyl, 4-methylphenyl, 4-bromophenyl) were generated using the multicomponent reaction of α-bromo ketones R/R2C(O)CH2Br, alkyl (aryl) isothiocyanates R1N=C=S, sodium hydride and Fe3O4 MNPs in the water at room temperature in good yields. The nanoparticles generated via the biosynthesis method have potential value in different purposes, such as organic synthesis. To study the antioxidant ability of some synthesized thioxo-1,3-oxazoles I, diphenyl-picrylhydrazine (DPPH) radical trapping and power of ferric reduction testes are employed. Among the studied thioxo-1,3-oxazoles, compound I (R = R2 = COOEt; R1 = 4-nitrophenyl) have good power for radical trapping and reduction activity than the standard antioxidants such as BHT and TBHQ. In addition, the antimicrobial activity of some thioxo-1,3-oxazoles I was studied, employing the disk diffusion test on Gram-pos. bacteria and Gram-neg. bacteria. The results of the disk diffusion test showed that compounds I (R = R2 = COOEt, R1 = 4-nitrophenyl; R = R2 = COOEt, R1 = 4-methoxyphenyl; R = R2 = 4-methoxyphenyl, R1 = t-Bu; R = R2 = 4-bromophenyl R1 = 4-nitrophenyl) prevented bacterial growth. Without employing catalyst, these reactions have low yield and busy mixture The synthesis of compound I (R = R2 = COOEt; R1 = 4-methoxyphenyl) as sample reaction has a similar yield in the presence of ZnO-NPs and Fe3O4 MNPs (entry 20 and entry 30), but the removal of catalyst from the mixture of reaction after the completion of the reaction is comfortable in the presence of Fe3O4 MNPs. Some of the advantages of performing these reactions with the present procedure are to carry out these reactions in water as a green solvent and simple removal of catalyst.

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Name: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Synthesis and antimicrobial activity of new series of piperazine containing chalcone derivatives. Author is Kumar, J. Ranjith; Nissankararao, Srinath; Ushasri, S.; Rehaman, Sk. A..

Treatment of 1-acetyl-4-(4-hydroxyphenyl)piperazine with aromatic or substituted aromatic aldehydes in presence of methanol and potassium hydroxide, formed 3-substituted phenyl-1-(4-(4-hydroxylphenyl)piperzin-1-yl)-prop-2-en-1-one derivatives I (R = Ph, 4-ClC6H4, 4-FC6H4, etc.). These are assayed for their antibacterial activity against Bacillus pumilus, Bacillus subtilis, Escherichia coli, Proteus vulgaris and for antifungal activity against Aspergillus niger, Candida albicans strains. Antibacterial assay revealed that Bacillus subtilis and Proteus vulgaris were the most sensitive bacterial strains to compounds I (R = 4-ClC6H4, 4-FC6H4, 4-O2NC6H4, 2,4-di-MeOC6H3, 2,4-Cl2C6H3) and in the antifungal assay, compounds I (R = Ph, 4-FC6H4, 2,4-Cl2C6H3) were highly effective against Aspergillus niger when compared to other other investigated strains.

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Oxazolidine – Wikipedia,
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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Dependence of mechanisms to thermodynamics in the electrochemical study of different electrophiles in the presence of some sulfur nucleophiles, the main research direction is electrophile isulfur nucleophile electrochem oxidation reaction mechanism.HPLC of Formula: 67914-60-7.

Abstract: Electrochem. study of different electrophiles in the presence of p-toluenesulfinic acid and 2-mercaptobenzothiazole as sulfur nucleophiles was investigated. Mechanistic study of the electrochem. reactions indicates that the electrochem. oxidation of some species in the presence of the sulfur groups has different mechanisms, but some other species in the presence of both sulfur nucleophiles have the same mechanism. To explain the reason for this difference, the computational study was used. Thermodn. investigation shows that when ΔGtot of the electrochem. oxidation of products are less than that of initial species, the electrochem. produced species can be oxidized during controlled-potential coulometry. The results of this work indicate that the computational study can be used to justify the reaction mechanisms. Cyclic voltammetry, linear sweep voltammetry, and controlled-potential coulometry were used to obtain the exptl. results. Also, by the use of BP86 level of theory and 6-31 + G(d,p) basis set, the theor. data were obtained.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem