Month: March 2022

Formula: C5H6N2O2. 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: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Synthesis, spectral characterizations and biological applications of novel 3-[(E)-(4, 6-dihydroxy pyrimidin-5-yl)diazenyl]-4-methylbenzoic acid azo Dye and their derivatives. Author is Prashantha, A. G.; Keshavayya, J.; Shoukat Ali, R. A..

Novel derivatives of amino-methylbenzoic acid and Pyrimidine-4,6-diol based heterocyclic azo dyes (5-7) were reported. Synthesis was carried out by diazotization of amino-methylbenzoic acid (1) and followed by coupling with different derivatives of Pyrimidine-4,6-diol based coupling components such as Pyrimidine-4,6-diol(2), 2-Me pyrimidine-4,6-diol(3), 2-aminopyrimidine-4,6-diol(4) under suitable exptl. condition. The azo dyes obtained are orange-red in color and they are characterized by various anal. methods like IR, UV-Vis, 1H NMR, 13C NMR and Mass spectral techniques etc. The synthesized compounds were screened for their biol. activities and the result was compared with the standards

There is still a lot of research devoted to this compound(SMILES：CC1=NC(=CC(N1)=O)O)Formula: C5H6N2O2, and with the development of science, more effects of this compound(1194-22-5) can be discovered.

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 Synthesis and antifungal activities of 1-(1H-1,2,4-triazol-1-yl)-2-(tert-butyl)-3-(O-substituted)-2-propanol derivatives, published in 2007-08-31, which mentions a compound: 67914-60-7, Name is 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, Molecular C12H16N2O2, Safety of 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone.

A method for the synthesis of the title compounds [i.e., α-(1,1-dimethylethyl)-α-[[4-(1-piperazinyl)phenoxy]methyl]-1H-1,2,4-Triazole-1-ethanol derivatives] is reported here. The antifungal activity of triazole derivatives bearing a tert-Bu group was studied and their antifungal activity was compared with those of the control drugs (fluconazole and itraconazole). Twelve target compounds were designed by the replacement of a 2,4-difluorophenyl group with a tert-Bu group. The target compounds were determined by NMR, IR. The MICs80 of these title compounds were determined by a method recommended by the National Committee for Clin. Laboratory Standards (NCCLS) using an RPMI 1640 test medium. The results of the preliminary antifungal test showed that all the target compounds exhibited potent antifungal activity. Other hydrophobic moieties besides a 2,4-difluorophenyl group can be introduced to design triazole compounds

There is still a lot of research devoted to this compound(SMILES：CC(N1CCN(C2=CC=C(O)C=C2)CC1)=O)Safety of 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, and with the development of science, more effects of this compound(67914-60-7) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Cupric bromide(SMILESS: [Cu+2].[Br-].[Br-],cas:7789-45-9) is researched.Name: Oxazole. The article 《Elemental mercury removal from simulated coal-fired flue gas by modified tonstein in coal seam》 in relation to this compound, is published in Fuel. Let’s take a look at the latest research on this compound (cas:7789-45-9).

Tonstein in coal seam (TCS) is a kind of mining solid waste, which was developed to a novel adsorbent (CuBr2-TCS) by using copper bromide modification. In this paper, CuBr2-TCS was subjected to elemental mercury (Hg0) removal experiment in simulated coal-fired flue gas (SFG). Several characterization methods were used to determine the mineralogical characteristics of TCS and reaction mechanisms. In-depth, the Hg0 removal performances of CuBr2-TCS under different flue gas components were explored. The results revealed that CuBr2-TCS exhibited 92.1% and 78.3% Hg0 removal efficiency in dry and wet SFG, resp. HCl and O2 facilitated Hg0 removal performance of CuBr2-TCS by supplementing oxygen atoms and halogens, resp., accompanying some intermediate transition products such as Cu2OBr2. SO2 played a serious suppressive role. SO2 acting alone or NO and SO2 acting simultaneously caused irreversible changes in the surface functional groups that formed active sites with NO. However, the thermal stability of the adsorbed mercury on the adsorbent which was spent in N2 + SO2 + O2 atmosphere became better. In addition, the spent adsorbent that first went through the Hg0 removal process in N2 + NO atm., exhibited higher Hg0 removal efficiency in N2 + SO2 + NO atm. than that first reacted in N2 + SO2 atmosphere. CuBr2-TCS is a cost-effective adsorbent for the Hg0 abatement from the coal-fired flue gas (CFG).

There is still a lot of research devoted to this compound(SMILES：[Cu+2].[Br-].[Br-])HPLC of Formula: 7789-45-9, and with the development of science, more effects of this compound(7789-45-9) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Name: Oxazole. 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: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Concerted vs Nonconcerted Metalation-Deprotonation in Orthogonal Direct C-H Arylation of Heterocycles with Halides: A Computational Study. Author is Gandon, Vincent; Hoarau, Christophe.

A computational study on the base-assisted orthogonal C-H arylation of azoles with halides is reported. Although concerted metalation-deprotonation (CMD) is favored under acetate assistance at the C5 site that displays the best balance of nucleophilic and acidic character, the most acidic C2 site may be selectively targeted under carbonate assistance by taking advantage of a carbanionic-type (or non-concerted) metalation-deprotonation mechanism (nCMD). For the latter, several exptl. probes including base, ligand, and solvent effects have been collected in favor of an outer-sphere deprotonation process after the formation of a [(Ln)(N1-heteroaryl)PdArX] complex. However, no computational anal. of this fundamental elementary step has been so far provided. We have carried out a series of d. functional theory (DFT) calculations that delineate the structural and energetic aspects of the nCMD pathway. Starting with the oxa(thia)zole-4-carboxylates selected in our group to engineer the competitive C2 vs C5 arylation in azoles, we show that the energy barrier of the C2 anion generation is lying unexpectedly lower than the prior heterocycle coordination to Pd that is eventually identified as the rate-determining step. These calculations provide satisfactory explanations for the exptl. observations of the divergence between nCMD and CMD reactivity, and notably a lower barrier at the C2 site for the nCMD process. On the other hand, the nCMD process is ineffective at the C5 site. Evaluation of various azoles reveals that the nCMD mechanism at C2 is viable from the most acidic (benzo)oxazoles to moderately acidic (benzo)thiazoles, as well as weakly acidic imidazoles. In all cases, in accordance with previously reported exptl. data in orthogonal direct C-H arylation of azoles, the nCMD route is found energetically competitive to the CMD one at C5 for all azoles, except for imidazole which needs stronger basic conditions than simple carbonate assistance. Addnl., the acetate ligand, which is the base of choice for CMD, was found inefficient for nCMD and the comparative performance of acetate vs carbonate to assist CMD in the azole series reveals also considerable changes from electronically close but environmentally divergent C5-H vs C2-H bonds.

There is still a lot of research devoted to this compound(SMILES：O1C=NC=C1)Name: Oxazole, and with the development of science, more effects of this compound(288-42-6) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one( cas:1194-22-5 ) is researched.Quality Control of 6-Hydroxy-2-methylpyrimidin-4(3H)-one.Goh, Eun Mee; Kim, Hyoun-Soo published the article 《The scale up process improvement of 1,1-diamino-2,2-dinitroethane (DADNE)》 about this compound( cas:1194-22-5 ) in New Trends in Research of Energetic Materials, Proceedings of the Seminar, 13th, Pardubice, Czech Republic, Apr. 21-23, 2010. Keywords: explosive diaminodinitroethane synthesis scaleup safety. Let’s learn more about this compound (cas:1194-22-5).

1,1-Diamino-2,2-dinitroethane (DADNE) is a novel explosive with low sensitivity and high performance. The nitration process of 4,6-dihydroxy-2-Me pyrimidine was enhanced using organic solvent. The temperature of reaction in nitration step is preferably 20-40°. The reaction time of step is 2 h. After nitration process, for the hydrolysis of 4,6-dihydroxy-5,5-dinitro-2-dinitromethylene-2,5-dihydropyrimidine, wherein heating reactant is applies in the hydrolysis, thereby solving the safety problem while improving the reaction time of hydrolysis.

There is still a lot of research devoted to this compound(SMILES：CC1=NC(=CC(N1)=O)O)Quality Control of 6-Hydroxy-2-methylpyrimidin-4(3H)-one, and with the development of science, more effects of this compound(1194-22-5) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Recommanded Product: 6-Hydroxy-2-methylpyrimidin-4(3H)-one. 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: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about ESR studies of electron and hydrogen adducts of thymine and uracil and their derivatives and of 4,6-dihydroxypyrimidines in aqueous solution. Comparison with data from solid state. The protonation at carbon of the electron adducts.

The coupling constants of the radicals produced in aqueous solution by reaction of the hydrated electron with uracil and thymine and with their nucleosides and nucleotides were determined using the in situ radiolysis ESR method. From the coupling constants of these electron adducts it is evident that the unpaired spin d. at C(6) of the pyrimidine ring is much larger than that at C(5). Substitution with Me, carboxyl, or ribosyl groups at C(5), C(6), and N(1), resp., has little effect on the distribution of the unpaired spin. The splittings of the radicals measured in aqueous solution are very similar to those previously reported for the same radicals in the solid state, which shows that the latter data are of predictive value also for the aqueous phase. At pH 7 in the presence of phosphate the electron adducts are converted into 6-dihydropyrimidin-5-yl radicals by protonation on C(6). The protonation reaction has previously been observed to occur in the solid state. In comparison, the hydrogen atom reacts with uracil to give the 5-dihydro-6-yl radical. The uracil isomer 4,6-dihydroxypyrimidine, and its 2- and 5-Me derivative react with the hydrated electron to give delocalized radical anions, which on protonation by H+ are converted into the 5-dihydro-2-yl radicals. This conversion, which can also be catalyzed by phosphate, is more efficient than in the case of uracil. The hydrogen atom reacts with the 4,6-dihydroxypyrimidine system by addition at C(5) to give the same radical as that from the reaction with the hydrated electron followed by protonation. With the electron adduct of 4,6-dihydroxypyrimidine, a OH- catalyzed protonation by water on C(5) is observed

There is still a lot of research devoted to this compound(SMILES：CC1=NC(=CC(N1)=O)O)Recommanded Product: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, and with the development of science, more effects of this compound(1194-22-5) can be discovered.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Wu, Yangbo; Zhang, Yuming; Ran, Chunhao; Lan, Jingbo; Bin, Zhengyang; You, Jingsong published the article 《Management of Locally Excited States for Purine-based TADF Emitters: A Method to Reduce Device Efficiency Roll-Off》. Keywords: locally excited purine based TADF emitter.They researched the compound: 2,6-Dichloropurine( cas:5451-40-1 ).Application In Synthesis of 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 programmed arylation of purine has been developed to construct a series of efficient thermally activated delayed fluorescent (TADF) materials. The corresponding organic light-emitting diodes (OLEDs) exhibit external quantum efficiency as high as 16.0% alongside small efficiency roll-off. Intriguingly, this work proves that the good management of localized states is an efficient way to reduce device efficiency roll-off and is crucial for the future design of high-performance OLEDs.

If you want to learn more about this compound(2,6-Dichloropurine)Application In Synthesis of 2,6-Dichloropurine, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(5451-40-1).

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Reference of 2,6-Dichloropurine. 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 Hydrogen-Bonding Interactions of Methylated Adenine Derivatives. Author is Osifova, Zuzana; Socha, Ondrej; Muzikova Cechova, Lucie; Sala, Michal; Janeba, Zlatko; Dracinsky, Martin.

Hydrogen bonding between nucleobases is a crucial noncovalent interaction for the life on Earth. Apart from Watson-Crick binding, Hoogsteen pairing has been found in many structures of nucleic acids. Methylation of nucleic acids (NAs) is a post-replication or post-transcription mechanism that can modulate the structure and function of a NA without changing its sequence. Methylation of adenine at the N6 position to form N6-methyladenine (m6A) is one of the most important and common epigenetic markers. This paper describes an investigation of intermol. H-bonding interactions of methylated derivatives of adenine with its complementary partner, thymine. Adenine derivatives with (di)methylamino groups in positions 2 or 6, I (R1 = NHMe, R2 = H; R1 = H, R2 = Me; R1 = NMe2, R2 = H; R1 = R2 = H), have been prepared and their interactions with thymine derivative II have been studied by NMR spectroscopy and DFT calculations It has been found that Hoogsteen pairing is preferred for adenine derivatives, which offers two hydrogen-bond sites on both Watson-Crick and Hoogsteen sides of the mol. Methylation of the N6 position leads to further stabilization of the Hoogsteen pair.

If you want to learn more about this compound(2,6-Dichloropurine)Reference of 2,6-Dichloropurine, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(5451-40-1).

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Reference of Ethyl 3-bromo-2-oxopropanoate. 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 Four-component green synthesis of benzochromene derivatives using nano-KF/clinoptilolite as basic catalyst: study of antioxidant activity. Author is Ezzatzadeh, Elham; Hossaini, Zinatossadat.

An efficient procedure for the synthesis of benzochromene derivatives I (R = Me, Et, Ph, 4-MeC6H4, 4-MeOC6H4; R1 = COOEt, 4-MeC6H4, 4-MeOC6H4; R2 = Me, Et) employing 1-(6-hydroxy-2-isopropenyl-1-benzofuran-yl)-1-ethanone (euparin), aldehydes, alkyl bromides, dialkyl acetylenedicarboxylate and triphenylphosphine in the presence of KF/CP NPs as a heterogeneous base nano-catalyst in water at 80° is investigated. Also, the antioxidant activity of some synthesized compounds was studied. The workup of mixture of reaction is simple, and the products can be separated easily by filtration. KF/CP NPs showed a good improvement in the yield of the product and displayed significant reusable activity.

If you want to learn more about this compound(Ethyl 3-bromo-2-oxopropanoate)Reference of Ethyl 3-bromo-2-oxopropanoate, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(70-23-5).

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Reference of Oxazole. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Exploring Bioactive Compounds in Anaerobically Digested Slurry: Extraction, Characterization, and Assessment of Antifungal Activity. Author is Lu, Jiaxin; Muhmood, Atif; Liu, Hongtao; Dong, Renjie; Pang, Sen; Wu, Shubiao.

Anaerobically digested slurry is well known for its use as a bio-fertilizer because of its high macro-nutrient content (e.g. N, P, K), which is essential for plant growth. Ultrasound-assisted extraction using three solvents, Et acetate (EA), dichloromethane (DM), and n-butanol (NB), was employed for extraction of bioactive compounds After extraction and characterization, antifungal activity against Fusarium oxysporum was assessed. EA was found to be a more efficient extractant with less evaporating time (4 min), irresp. of temperature DM was found to be efficient in the extraction of O-heterocycles, while N-heterocycles were enriched in EA extracts Furthermore, the bioactive compounds, 1,2-benzenedicarboxylic acid, Bu 2-methylpropyl ester (54.9%), and 9-octadecenamide, (Z)-(2.51%) were detected in the EA extract, while tetrahydro-2-furanmethanamine (1.32%), cyclic octat. sulfur (1.17%), squalene (4.06%), and cholestan-3-ol (9.06%) were detected in the DM extract The EA extract achieved approx. 84% inhibition of F. oxysporum, while only 63% inhibition was observed with the DM extract Collectively, these findings indicate that in addition to its role as a fertilizer, digested slurry may also contribute to the control of phytopathogens upon land application because of the presence of various bioactive compounds However, further work is needed to explore the diversity of bioactive compounds in digested manures and evaluate their antimicrobial potential.

If you want to learn more about this compound(Oxazole)Reference of Oxazole, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(288-42-6).

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem