Month: April 2022

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Visible-light-promoted 3,5-dimethoxyphenyl glycoside activation and glycosylation》. Authors are Cao, Yafei; Zhou, Minmin; Mao, Run-Ze; Zou, You; Xia, Feng; Liu, Da-Ke; Liu, Jianhui; Li, Qin; Xiong, De-Cai; Ye, Xin-Shan.The article about the compound:2,6-Dichloropurinecas:5451-40-1,SMILESS:C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2).Synthetic Route of C5H2Cl2N4. Through the article, more information about this compound (cas:5451-40-1) is conveyed.

A new glycosylation method promoted by visible light with 3,5-dimethoxyphenyl glycoside as the donor was developed. This protocol delivers both O-glycosides and N-glycosides in moderate to excellent yields using a wide range of O-nucleophiles and nucleobases as the glycosyl acceptors.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

SDS of cas: 67914-60-7. 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: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Investigation on 1-Acetyl-4-(4-hydroxyphenyl) piperazine an anti-fungal drug by spectroscopic, quantum chemical computations and molecular docking studies.

The title compound, 1-acetyl-4-(4-hydroxyphenyl)piperazine (1A4HP) has been examined by FT-Raman, FT-IR, 1HNMR, 13CNMR and UV-Visible spectra range. By using the d. functional theory (DFT) by the method B3LYP and basis set 6-311++G(d,p) the optimized figure of 1A4HP, the vibrational modes, the IR penetration intensities and the working of Raman scattering were estimated The optimized mol. figure obtained by the DFT method and its bond length and bond angle computed values are same as the XRD exptl. values. AIM topol. anal. was done on the mol. The HOMO and LUMO energy results show that good exchange of charge happened inside the mol. NBO method was applied to study donor-acceptor interactions. 1H and 13C chem. shift of NMR were estimated using the type gauge-independent AO (GIAO) and the results are related to the exptl. values. The hyperpolarizability computation shows the 1A4HP has very good NLO property. The anal. of Fukui function and Mol. electrostatic potential (MEP) studies were done. The essential thermodn. characters (entropy, enthalpy and heat capacity) of the 1A4HP estimated at various temperatures The best ligand-protein interactions are done by mol. docking with the various antifungal proteins and the ligand 1A4HP.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Synthetic Route of C5H6N2O2. 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: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Effect of 4,6-dihydroxypyrimidine and 2-methyl-4,6-dihydroxypyrimidine on the development of pulmonary adenomas in mice. Author is Labkovskii, B. M..

4,6-Dihydroxypyrimidine (50 mg./kg.) administered s.c. into mice simultaneously or daily for 1 week following injection of urethane (1 g./kg.) stimulated the formation of adenomas on the lung surfaces. These morphological changes were first observed 1-1.5 months after administration of the carcinogen. 2-Methyl-4,6-dihydroxypyrimidine did not have the ability to stimulate urethane-induced blastomogenesis under similar conditions.

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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 Palladium-Catalyzed Germylation of Aryl Bromides and Aryl Triflates Using Hexamethyldigermane, published in 2018-05-31, which mentions a compound: 67914-60-7, mainly applied to palladium catalyst aryl bromide triflate germylation hexamethyldigermane aryltrimethylgermane preparation, Quality Control of 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone.

Pd-catalyzed germylation of aryl bromides and aryl triflates using com. available hexamethyldigermane is described. Optimized reaction conditions afforded various functionalized aryltrimethylgermanes, including drug-like mols., in moderate to good yields, demonstrating the versatility of the presented protocols.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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, RSC Advances called The design, synthesis, and in vitro trypanocidal and leishmanicidal activities of 1,3-thiazole and 4-thiazolidinone ester derivatives, Author is Haroon, Muhammad; de Barros Dias, Mabilly Cox Holanda; Santos, Aline Caroline da Silva; Pereira, Valeria Rego Alves; Barros Freitas, Luiz Alberto; Balbinot, Rodolfo Bento; Kaplum, Vanessa; Nakamura, Celso Vataru; Alves, Luiz Carlos; Brayner, Fabio Andre; Leite, Ana Cristina Lima; Akhtar, Tashfeen, which mentions a compound: 70-23-5, SMILESS is O=C(OCC)C(CBr)=O, Molecular C5H7BrO3, Recommanded Product: Ethyl 3-bromo-2-oxopropanoate.

Given this, novel 1,3-thiazoles I (Ar = Ph, 3-chlorophenyl, furan-2-yl, etc.; R = H, Me) and 4-thiazolidinones II (R1 = (phenylmethylidene)aminyl, [(4-hydroxy-3-methoxyphenyl)methylidene]aminyl, 1,2,3,4-tetrahydronaphthalen-1-iminyl, etc.; R2 = Me, Et) using bioisosteric and esterification strategies to develop improved and safer drug candidates were synthesized. Then, in vitro assays were performed, against Leishmania infantum and Leishmania amazonensis promastigotes, Trypanosoma cruzi trypomastigotes and amastigotes, for selected compounds I and II to determine IC50 and SI, with cytotoxicity on LLC-MK2 cell lines. Overall, 1,3-thiazoles I exhibited better trypanocidal activity than 4-thiazolidinones II. The compound I[Ar = 2-bromophenyl, R = H] (III), an ortho-bromobenzylidene-substituted 1,3-thiazole (IC50 = 0.83μM), is the most potent of them all. In addition, compounds I and II had negligible cytotoxicity in mammalian cells (CC50 values > 50μM). Also noteworthy is the examination of the cell death mechanism of T. cruzi, which showed that compound III induced necrosis and apoptosis in the parasite. SEM anal. demonstrated that the treatment of Trypanosoma cruzi trypomastigote cells with the compound III at different IC50 concentrations promoted alterations in the shape, flagella and body surface, inducing parasite death. Together, the data revealed a novel series of 1,3-thiazole structure-based compounds I with promising activity against Trypanosoma cruzi and Leishmania spp., broadening ways for scaffold optimization.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Green synthesis of pyrido[2,1-a]isoquinolines and pyrido[1,2-a]quinolines using Fe3O4-MNPs as efficient nanocatalyst: Study of antioxidant activity, published in 2020, which mentions a compound: 70-23-5, Name is Ethyl 3-bromo-2-oxopropanoate, Molecular C5H7BrO3, Category: oxazolidine.

In this work, synthesis of pyrido[2,1-a]isoquinolines I (R = COOEt, 4-MeOC6H4, 4-MeC6H4, 4-BrC6H4, 4-O2NC6H4) and pyrido[1,2-a]quinolines II (R1 = COOEt, 4-MeOC6H4, 4-MeC6H4) in excellent yields using multicomponent reaction of phthalaldehyde, Me amine, Me malonyl chloride, alkyl bromides, and triphenylphosphine in the presence of catalytic amount of Fe3O4-MNPs and aqueous sodium hydroxide at 80° was investigated. The reduction of ferric chloride solution with Clover Leaf water extract was used for the synthesis of magnetic iron oxide nanoparticles (Fe3O4-MNPs) as a green method. As well, antioxidant activity was studied for the some newly synthesized compounds such as I (R = COOEt, 4-MeC6H4), II (R1 = 4-MeOC6H4, 4-MeC6H4) using the DPPH radical trapping, reducing of ferric ion experiments and comparing results with synthetic antioxidants (TBHQ and BHT). From the results, the above compounds showed good DPPH radical trapping and excellent reducing strength of ferric ion.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

SDS of cas: 7789-45-9. 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: Cupric bromide, is researched, Molecular Br2Cu, CAS is 7789-45-9, about Geometrical Confinement Modulates the Thermoresponse of a Poly(N-isopropylacrylamide) Brush. Author is Gresham, Isaac J.; Humphreys, Ben A.; Willott, Joshua D.; Johnson, Edwin C.; Murdoch, Timothy J.; Webber, Grant B.; Wanless, Erica J.; Nelson, Andrew R. J.; Prescott, Stuart W..

The structure of grafted-from poly(N-isopropylacrylamide) (PNIPAM) brushes is investigated as a function of confining stress and system temperature using neutron reflectometry (NR), numerical SCF theory, and the reanal. of colloid probe at. force microscopy (AFM) data from the literature. For NR experiments, confinement is achieved using a custom-made sample environment, and the corresponding reflectometry data are analyzed using a novel “”distribution model.”” The NR and AFM experiments probe similar temperature-stress combinations and generally find qual. agreement, with some variations highlighting path-dependent (isostress vs. isothermal, resp.) behavior. All techniques indicate that confinement removes the critical transition point in the thermoresponse of PNIPAM and results in the brush assuming a block-like volume fraction profile with a uniform internal structure. The PNIPAM brushes recover from such treatment, regaining their thermoresponse upon resolvation. Understanding the structure of responsive polymer brushes under confinement is essential, as brush applications are often accompanied by a surface-normal force (i.e., lubrication) and brush properties are dependent on their structure.

Although many compounds look similar to this compound(7789-45-9)SDS of cas: 7789-45-9, numerous studies have shown that this compound(SMILES:[Cu+2].[Br-].[Br-]), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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 Stereoselective syntheses of both enantiomers of ketoconazole from (R)- and (S)-epichlorohydrin, the main research direction is ketoconazole enantiomer stereoselective synthesis.Product Details of 67914-60-7.

Stereoselective syntheses of both enantiomers of ketoconazole (I) from com. available (R)- or (S)-epichlorohydrin has been developed. The key step of these syntheses involves the selective substitution of the methylene chlorine atom by benzoate on a mixture of (2S,4R)-II and (2R,4R)-II or of their enantiomers, followed by crystallization of the corresponding cis-benzoates, from which (+)- or (-)-I were obtained as described for (±)-I. The ee’s of (+)- and (-)-ketoconazole were determined by HPLC on the CSP Chiralcel OD-H.

Although many compounds look similar to this compound(67914-60-7)Product Details of 67914-60-7, numerous studies have shown that this compound(SMILES:CC(N1CCN(C2=CC=C(O)C=C2)CC1)=O), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – 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: 1194-22-5, is researched, SMILESS is CC1=NC(=CC(N1)=O)O, Molecular C5H6N2O2Journal, Journal of Physical Chemistry called Reactions of oxidizing radicals with 4,6-dihydroxypyrimidines as model compounds for uracil, thymine, and cytosine, Author is Novais, H. M.; Steenken, S., the main research direction is radical oxidizing reaction pyrimidinediol.Recommanded Product: 6-Hydroxy-2-methylpyrimidin-4(3H)-one.

The reactions of the oxidizing radicals OH, O-, SO4-, and Br2- with 4,6-dihydroxypyrimidine (4,6-DHP) and with 2- and 5-methyl-4,6-DHP were examined by using in situ radiolysis and photolysis ESR and pulse radiolysis techniques. At pH 1-6 the OH radical reacts with these compounds [k = (4-7) × 109 M-1 s-1] selectively by addition at C-5 to produce radicals characterized by two pairs of magnetically equivalent nitrogens and exchangeable protons. On the basis of the coupling constants and from the increased pKa value (8.3) of the radical from 4,6-DHP relative to that (5.3) of the parent compound, a diketo-type structure is suggested for the OH adducts. At pH 8-12 a base-catalyzed dehydration of the radical anions takes place which leads to species formally derived from the ionized parent compound by one-electron oxidation, followed by deprotonation. These radicals can also be produced by reaction with SO4- or Br2-. Those from 4,6-DHP and from 2-Me-4,6-DHP were seen in two different protonation states: as a neutral radical between pH 3 and 5, and as the radical anion above pH ≈ 5. Me groups on the 4,6-DHP mol. increase the rate of dehydration of the OH adducts. The O- radical reacts with the methylated 4,6-DHP’s by H abstraction from the Me groups. The structures of all the radicals from the 4,6-DHP’s are compared with those form naturally occurring dioxopyrimidines such as the uracils.

Although many compounds look similar to this compound(1194-22-5)Recommanded Product: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, numerous studies have shown that this compound(SMILES:CC1=NC(=CC(N1)=O)O), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Electric Literature of Br2Cu. 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: Cupric bromide, is researched, Molecular Br2Cu, CAS is 7789-45-9, about Plasmonic-redox controlled atom transfer radical polymerization. Author is Guo, Yuyang; Zou, Yu; Jiang, Jiang.

Plasmonic-ATRP has been developed in which Cu(I) species are (re)generated via photo-redox reactions both directly by hot electrons and indirectly by hot holes, in which the polymerization degree and mol. weight can be regulated by controlling the rate of plasmonic hot carrier extraction

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem