Month: April 2022

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: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Electrochemical Synthesis of a New Derivative of 1,4-Dihydroxybenzene: Embedded Nucleophile in the Structure of Electrophile.Application of 67914-60-7.

The electrochem. oxidation of 4-(Piperazin-1-yl)phenols (1a,b) was studied in the H2O, MeCN and nitromethan by cyclic voltammetry and controlled-potential coulometry. P-quinone-imines generated of oxidation 4-(Piperazin-1-yl)phenols after the hydrolysis reaction participate in Michael-addition reactions with released piperazine of hydrolysis reaction of p-quinone imines. The present work led to the development of a facile and environmentally friendly electrochem. method for the synthesis of a new derivative of 1,4-dihydroxybenzene under green conditions. The effect of H2O as a solute on the electrochem. response of 4-(Piperazin-1-yl)phenols (1a,b) was examined in the MeCN (AN) and nitromethane (NM) solvent.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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 ZnO-nanocatalyst Promoted the Production of Imidazole Derivatives via four-component Reaction of Amino acid: Study of Antioxidant and Antimicrobial Activity, published in 2021-07-31, which mentions a compound: 70-23-5, mainly applied to zinc oxide nanocatalyst imidazole derivative production antioxidant antimicrobial activity; Alkyl bromides; aminoacides; catalyst; imidazole; multicomponent reactions; zinc oxide nanoparticles (ZnO-NPs), Application of 70-23-5.

In current research, imidazole derivatives are synthesized via a new process of four component reaction of trichloroacetonitrile, amides, alkyl bromides and amino acids catalyzed by zinc oxide nanoparticles (ZnO-NPs) as a simple and recyclable catalyst in water at room temperature Among investigated compounds, compounds 5b have good results relative to butylated hydroxytoluene (BHT) and 2-tert-butylhydroquinone (TBHQ) as standard antioxidant. The achieved outcomes of disk diffusion experiment showed that these compounds avoided the growth of bacterial. In this research, all chems. are purchased from Fluka (Buchs, Switzerland) and employed with any purification For measuring IR spectroscopy and m.p., a Shimadzu IR-460 spectrometer and Electrothermal 9100 apparatus are utilized resp. BRUKER DRX-400 AVANCE spectrometer is used for giving the 1H, and 13CNMR spectra at 400.1 and 100 MHz resp. For recording mass spectra, a FINNIGAN-MAT 8430 spectrometer with an ionization potential of 70 eV was utilized. The SEM employing a Holland Philips XL30 microscope was used for determination of ZnO nanocomposites morphol. X-ray diffraction anal. at room temperature using a Holland Philips Xpert X-ray powder diffractometer, with CuKα radiation (λ=0.15406 nm), with 2θ ranging from 20 to 80° was employed for characterization of crystalline structure of Fe3O4/CuO nanocomposites. Scherrer’s formula; D= 0.9λ/β cosθ was employed for calculating the average crystallite size where D is the diameter of the nanoparticles, λ (CuKα) =1.5406 Å and β is the full width at half-maximum of the diffraction lines. A general way to prepare of compounds 5 The trichloroacetonitrile 1 (2 mmol) and amides 2 (2 mmol) mixed with ZnO-NPs (10 mol%) in water (5 mL). after 45 min amino acids 3 (2 mmol) was added to previous mixture at room temperature After 30 min α-haloketones 4 (2 mmol) was added to mixture and stirred for 3 h. After 3 h, the reaction is completed and TLC confirms progress of the reaction. At last, the solid residue was collected by filtration and cleaned with EtOAC to removing ZnO-NPs and after evaporating solvent and washing solid with Et2O compounds 5 afforded as pure product. Without employing catalyst, these reactions have low yield and busy mixture The synthesis of compound 5a as sample reaction and displayed the ZnO nanoparticles (10 mol%) is the best catalyst for sample reaction and H2O is the very better than other solvent in sample reaction. Structures of 5 are confirmed by IR, 1H NMR, 13C NMR mass spectra. In summary, imidazole derivatives were produced in excellent yield from the reaction of trichloroacetonitrile, amides, alkyl bromides and amino acids using ZnO-NPs in water at room temperature In addition, the power of synthesized imidazole as antioxidant was determined by radical trapping of DPPH and power of reducing ferric analyzes. The tested imidazoles display good radical trapping of DPPH but exhibitted moderate FRAP relative to BHT and TBHQ as synthetic antioxidants. The outcomes of disk diffusion experiment exhibits that synthesized imidazole avoided the bacterial growth. The superiorities of this procedure are environmental, high yield of product and low amounts of catalyst and short time of reaction.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Synthesis and photophysical properties of 2-azolyl-6-piperidinylpurines, the main research direction is azolylpiperidinylpurine preparation fluorescence MSPR.Application In Synthesis of 2,6-Dichloropurine.

A synthesis of fluorescent 2-azolyl-6-piperidinylpurines was designed. Azolyl substituent at purine C-2 atom was introduced via nucleophilic aromatic substitution or in the case of tetrazolyl and 1,2,3-triazolyl substituents via a ring formation on a preinstalled amine or azide moiety, resp. The obtained purine intermediates were functionalized at N-9 position using Mitsunobu reaction conditions and achieved amorphous compounds, which formed a thin-layer films of good quality. The push-pull systems exhibited fluorescence with emission in range of 360-400 nm and quantum yields up to 66% in CH2Cl2 solution and up to 45% in the thin-layer film.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Electric Literature of C5H2Cl2N4. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Repurposing Mitsunobu Reactions as a Generic Approach toward Polyethylene Derivatives. Author is Zhang, Yin; Wang, Ting; Bai, Jing; You, Wei.

Broad scope of functionality and controllable degree of functionalization are intriguing goals for the development of polar-group-functionalized polyethylene materials. Herein, we propose a generic strategy of using widely available starting materials (i.e., poly(ethylene-co-vinyl acetate), EVA) and mild Mitsunobu functionalization conditions to prepare over 30 polyethylene derivatives No noble transition metal catalysts (e.g., Ru, Mo, Pd, etc.) or corrosive/explosive reagents (e.g., HBr, NaN3, C2H4, H2, etc.) are used in the synthesis, while functional groups such as azide, aldehyde, norbornene, and thiol can be easily installed, with tunable content as high as 18 mol %. Using this practical method, we successfully prepared polyethylene-derivatized membranes with excellent antimicrobial and fluorescent properties.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Related Products of 1194-22-5. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Reaction of sulfate radical anion (SO4•-) with hydroxy- and methyl-substituted pyrimidines: A pulse radiolysis study. Author is Luke, T. L.; Mohan, H.; Manoj, V. M.; Manoj, P.; Mittal, J. P.; Aravindakumar, C. T..

Reactions of sulfate radical anion with 4,6-dihydroxy-2-methylpyrimidine (DHMP), 2,4-dimethyl-6-hydroxypyrimidine (DMHP), 6-methyluracil (MU) and 5,6-dimethyluracil (DMU) have been studied by pulse radiolysis at pH 3 and at pH 10. The transient intermediate spectra were compared with those from the reaction of hydroxyl radical. It is proposed that sulfate radical anion produces radical cations of these pyrimidines in the initial stage. These radical cations are short-lived except in the case of DMHP where a relatively longer lived radical cation is proposed to be formed. When there is a hydrogen atom attached to the N(1) or N(3) position, a deprotonation from these sites is highly favored. When there is no hydrogen attached to these sites, deprotonation from a substituted Me group is favored. At acidic pH, deprotonation from nitrogen is observed for DHMP, MU and DMU. At basic pH, the radical cation reacts with OH- leading to the formation of OH adducts.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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.Lew-Yee, Juan Felipe Huan; Piris, Mario; del Campo, Jorge M. researched the compound: Oxazole( cas:288-42-6 ).Application of 288-42-6.They published the article 《Resolution of the identity approximation applied to PNOF correlation calculations》 about this compound( cas:288-42-6 ) in arXiv.org, e-Print Archive, Physics. Keywords: cycloalkane piris natural orbital functional correlation calculation electronic energy. We’ll tell you more about this compound (cas:288-42-6).

In this work, the required algebra to employ the resolution of the identity approximation within piris natural orbital functional (PNOF) is developed, leading to an implementation named DoNOF-RI. The arithmetic scaling is reduced from fifth-order to fourth-order, and the memory scaling is reduced from fourth-order to third-order, allowing significant computational time savings. After the DoNOF-RI calculation has fully converged, a restart with four-center electron repulsion integrals can be performed to remove the effect of the auxiliary basis set incompleteness, quickly converging to the exact result. The proposed approach has been tested on cycloalkanes a nd other mols. of general interest to study the numerical results as well as the speed-ups achieved by PNOF7-RI when compared with PNOF7.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Name: 2,6-Dichloropurine. 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: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Design, synthesis and biological evaluation of novel benzothiadiazine derivatives as potent PI3Kδ-selective inhibitors for treating B-cell-mediated malignancies. Author is Ma, Xiaodong; Wei, Jun; Wang, Chang; Gu, Dongyan; Hu, Yongzhou; Sheng, Rong.

A series of 24 benzothiadiazine derivatives I (R1 = Ph, 4-F-Ph, 3-CF3-Ph, etc; R2 = H, F, Cl; R3 = Me, Et; R4 = H, F, Cl), II, III (R5 = Ph, 4-F-Ph, 4-OCF3-Ph, 3-Py; R6 = H, F) with structural novelty were designed, synthesized and biol. evaluated as PI3Kδ-selective inhibitors. Structure-activity relationship (SAR) study showed that, compounds I (R1 = Ph; R2 = Cl; R3 = Et; R4 = H) and II (R2 = Cl; R3 = Me) were identified with single-digit nanomolar IC50 values against PI3Kδ and submicromolar GI50 values against human malignant B-cell line SU-DHL-6. Furthermore, chiral resolution of the key amine intermediate of these two compounds was performed to achieve corresponding enantiomers. Compounds (S)-3-(1-((9H-purin-6-yl)amino)ethyl)-8-chloro-2-phenyl-2Hbenzo[e][1,2,4]thiadiazine 1,1-dioxide(IC50: 4.6 nM) and (S)-4-amino-6-((1-(8-chloro-1,1-dioxido-2-phenyl-2H-benzo[e][1,2,4]thiadiazin-3-yl)ethyl)amino)pyrimidine-5-carbonitrile(IC50: below 0.32 nM) demonstrated comparable and superior PI3Kδ inhibitory activity, resp., to that of idelalisib. Addnl., both the compounds exerted enhanced anti-proliferative activity against the SU-DHL-6 cell line than that of idelalisib and they exhibited excellent PI3Kδ selectivity. The in vivo pharmacokinetic (PK) study revealed that (S)-3-(1-((9H-purin-6-yl)amino)ethyl)-8-chloro-2-phenyl-2Hbenzo[e][1,2,4]thiadiazine 1,1-dioxide displayed good plasma exposure and an acceptable oral bioavailability of 29.2% and can further be developed as a potential therapeutic agent for battling B-cell-mediated malignancies.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Related Products of 70-23-5. 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: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about Ionic liquid promoted green synthesis of new pyridazino benzazepine derivatives: Evaluation of antioxidant activity. Author is Dehbandi, Behnam; Hossaini, Zinatossadat; Mirjafari, Zohreh; Zardoost, Mohammad Reza.

In this research, preparation of pyridazino benzazepine derivatives I (R = H, methoxycarbonyl, ethoxycarbonyl; R1 = ethoxycarbonyl, 4-chlorophenyl, 4-methylphenyl, etc.; X = H, Me, Cl, NO2) in high yields were investigated via the domino and one-pot reaction of isatoic anhydrides II, N-methylimidazole, alkyl bromides R1C(O)CH2Br, activated acetylenic compounds RCCC(O)OR2 (R2 = Me, Et), and hydrazine in ionic liquid as green media at 80°C. Also, antioxidation property of some prepared pyridazino benzazepines I due to having pyridazine and benzazepine core is investigated by employing of trapping diphenyl-picrylhydrazine radical and ability of ferric reduction experiment This procedure has a few benefits relative to reported method such as good rate of reaction, product with high efficiency, and simple separation of product from mixture of reaction.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Ethyl 3-bromo-2-oxopropanoate(SMILESS: O=C(OCC)C(CBr)=O,cas:70-23-5) is researched.Product Details of 17927-65-0. The article 《Synthesis and evaluation of antioxidant and antimicrobial activity of new spiropyrrolopyrrolizine compounds: Using Fe3O4/TiO2/Multiwall carbon nanotubes (MWCNTs) magnetic nanocomposites》 in relation to this compound, is published in Applied Organometallic Chemistry. Let’s take a look at the latest research on this compound (cas:70-23-5).

The Fe3O4/TiO2/multiwall carbon nanotubes (MWCNTs) magnetic nanocomposites was synthesized using water extract of Spinacia oleracea leaves, and the high performance of synthesized catalyst was confirmed by employing of it in the multicomponent reaction of reaction of isatoic anhydride, tert-butylisocyanide, diamines, or hydroxyamines, electron-deficient acetylenic ester, α-haloketones and Et3N in water at ambient temperature for the production of new spiropyrrolopyrrolizine compounds in high yields. This catalyst could be used several times in these reactions and have main role in the yield of product. The synthesized compounds have NH and OH group in their structure and for this reason have good antioxidant activity. Also, employing Gram-pos. and Gram-neg. bacteria in the disk diffusion procedure confirmed the some spiropyrrolopyrrolizine derivatives antimicrobial effect. The results showed that synthesized compounds prevented the bacterial growth. This used procedure for preparation of spiropyrrolopyrrolizine derivatives have some advantages such as low reaction time, product with high yields and simple separation of catalyst and products.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Reference of 6-Hydroxy-2-methylpyrimidin-4(3H)-one. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Modeling & simulation of micro reactor with nitration of 2-methyl-4,6-dihydroxy-pyrimidine. Author is Mandal, Alok Kumar; Pandey, Raj Kishore; Asthana, Shri Nandan; Kulkarni, Amol; Kulkarni, Bhaskar Dattatraya.

Nitration of 2-methyl-4,6-dihydroxypyrimidine (MDP) using concentrated sulfuric acid and nitric acid as nitrating mixture is a highly exothermic and hazardous reaction. Conducting such reaction in a batch reactor follow an unsteady state and its trajectory depends on various important parameters such as initial reactor temperature, initial composition of reaction mass, temperature of circulating coolant, etc. However, over all productivity, process control, and safety of the batch process is highly restricted due to lower surface to volume ratio. In the present work, an effort was made to over come the limitations of batch reactor by using the novel micro reactor device. Micro reactor is having extremely high surface to volume ratio, which was explored to carry out nitration of MDP both numerically as well as exptl. and the results were compared with conventional batch reactor. The micro reaction system was modeled using two dimensional (2-D) heat flow and mass transfer equations. The kinetic rate equation for nitration of MDP has evaluated exptl. by differential method which is used in modeling of the micro reactor. The numerical results from the 2-D model for conversion and temperature profile along the length and radius of micro reactor were compared with corresponding results obtained from batch reactor. In order to validate the model, several experiments were conducted in micro reactor set-up with the variation of flow rate, residence time, concentration, temperature, etc. The exptl. results from micro reactor revealed that nitration of MDP takes place even at much lower concentration and lower residence time with better control of temperature profile. Also, the reaction takes place in laminar region compared to turbulent region in corresponding batch reactor setup.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem