Category: Thiomorpholine

An article Trinuclear ruthenium carbonyl complexes with salicylaldimine ligands as efficient catalysts for the oxidation of secondary alcohols WOS:000607094800009 published article about AEROBIC OXIDATION; SCHIFF-BASE; MECHANISTIC INSIGHT; TRIPHENYLPHOSPHINE; AZIRIDINES; KETONES; TEMPO; RING in [Hao, Zhiqiang; Li, Ying; Han, Zhangang; Lin, Jin] Hebei Normal Univ, Coll Chem & Mat Sci, Natl Demonstrat Ctr Expt Chem Educ, Hebei Key Lab Organ Funct Mol, Shijiazhuang 050024, Hebei, Peoples R China; [Ma, Zhihong] Hebei Med Univ, Sch Pharm, Shijiazhuang 050017, Hebei, Peoples R China; [Lu, Guo-Liang] Univ Auckland, Auckland Canc Soc, Fac Med & Hlth Sci, Res Ctr, Private Bag 92019, Auckland 1142, New Zealand in 2021.0, Cited 46.0. The Name is Benzophenone. Through research, I have a further understanding and discovery of 119-61-9. Recommanded Product: 119-61-9

A series of novel trinuclear ruthenium carbonyl complexes [mu-eta(2)-2-OC6H4-CH=N Ar)](2)Ru-3(CO)(8)[Ar = Ph (8), C6H4-4-Me (9), C6H4-4-CF3 (10), C6H4-4-Cl (11), C6H3-2,6-Me-2 (12), C6H3-2,6-Et-2 (13)] and [mu-eta(2)-2-OC6H4-CH=N-C6H3-2,6(i)Pr(2)]Ru-3(CO)(9) (14) were designed and synthesized. All the seven novel complexes were fully characterized by elemental analysis, IR and NMR spectroscopy. Molecular structures of 8, 11, 13 and 14 were further confirmed by single-crystal X-ray diffraction. The catalytic performance of these complexes in the oxidation of secondary alcohols was explored and it was found the combination of such complexes and N-methylmorpholine-N-oxide (NMO) exhibits high catalytic activities for the oxidation of secondary alcohols, giving the corresponding carbonyl compounds in excellent yields. (C) 2020 Elsevier B.V. All rights reserved.

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An article omega-Quinazolinonylalkyl aryl ureas as reversible inhibitors of monoacylglycerol lipase WOS:000505596300011 published article about ACID-AMIDE HYDROLASE; MONOGLYCERIDE LIPASE; ENDOCANNABINOID SYSTEM; ACCURATE DOCKING; MAGL; DERIVATIVES; ANALOGS; GLIDE; IDENTIFICATION; PREDICTION in [Dato, Florian M.; Pietsch, Markus] Univ Cologne, Med Fac, Ctr Pharmacol, Inst Pharmacol 2, Gleueler Str 24, D-50931 Cologne, Germany; [Dato, Florian M.; Neudoerfl, Jorg-Martin; Goldfuss, Bernd] Univ Cologne, Inst Organ Chem, Dept Chem, Greinstr 4, D-50939 Cologne, Germany; [Guetschow, Michael] Univ Bonn, Pharmaceut Inst, Pharmaceut Chem 1, Immenburg 4, D-53121 Bonn, Germany in 2020, Cited 60. Category: thiomorpholine. The Name is 2-Aminobenzamide. Through research, I have a further understanding and discovery of 88-68-6

The serine hydrolase monoacylglycerol lipase (MAGL) is involved in a plethora of pathological conditions, in particular pain and inflammation, various types of cancer, metabolic, neurological and cardiovascular disorders, and is therefore a promising target for drug development. Although a large number of irreversible-acting MAGL inhibitors have been discovered over the past years, there are only few compounds known so far which inhibit the enzyme in a reversible manner. Therefore, much effort is put into the development of novel chemical entities showing reversible inhibitory behavior, which is thought to cause less undesired side effects. To explore a wide range of chemical structures as MAGL binders, we have applied a virtual screening approach by docking small molecules into the crystal structure of human MAGL (hMAGL) and envisaged a library of 45 selected compounds which were then synthesized. Biochemical investigations included the determination of the inhibitory potency on hMAGL and two related hydrolases, i.e. human fatty acid amide hydrolase (hFAAH) and murine cholesterol esterase (mCEase). The most promising candidates from theses analyses, i.e. three w-quinazolinonylalkyl aryl ureas bearing alkyl spacers of three to five methylene groups, exhibited IC50 values of 20-41 mu M and reversible, detergent-insensitive behavior towards hMAGL. Among these compounds, the inhibitor 1-(3,5-bis(tri-fluoromethyl)phenyl)-3-(4-(4-oxo-3,4 dihydroquinazolin-2-yl)butyl)urea (96) was selected for further kinetic characterization, yielding a dissociation constant K-i = 15.4 mu M and a mixed-type inhibition with a pronounced competitive component (alpha = 8.94). This mode of inhibition was further supported by a docking experiment, which suggested that the inhibitor occupies the substrate binding pocket of hMAGL.

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Category: thiomorpholine. I found the field of Science & Technology – Other Topics; Materials Science very interesting. Saw the article Ultrahigh Flux and Strong Affinity Poly(N-vinylformamide)-Grafted Polypropylene Membranes for Continuous Removal of Organic Micropollutants from Water published in 2021, Reprint Addresses Chen, XN (corresponding author), Beijing Univ Chem Technol, Beijing Lab Biomed Mat, Beijing 100029, Peoples R China.. The CAS is 119-61-9. Through research, I have a further understanding and discovery of Benzophenone.

The rapid and effective removal of organic micropollutants (OMPs) from water remains a huge challenge for traditional water treatment techniques. Compared with powder adsorbents such as polymers and nanomaterials, the free-standing adsorptive membrane is possible for large-scale applications and shows promise in removing OMPs. Herein, inspired by aquatic plants, a novel free-standing adsorptive membrane (NPPM) with high water flux, strong adsorption affinity, and excellent reproducibility was prepared by one-step UV surface grafting. N-Vinylformamide (NVF) was employed to introduce multiple hydrophilic and hydrogen bonding sites on the surface of commercial polypropylene fiber membranes (PPM). The NPPM exhibits excellent water permeability and ultrahigh water flux (up to 40 000 L/(m(2) h)) and could continuously remove a broad spectrum of OMPs from water. Its adsorption performance is 5-100 times higher than that of PPM and commercial membranes. Even in natural water sources such as tap water and river water, the NPPM shows unchanged adsorption performance and high OMPs removal efficiency (>95%). Notably, the NPPM has excellent regeneration performance and can be regenerated by hot water elution, which provides an environmentally friendly regeneration method without involving any organic solvent. Moreover, the synergy between hydrogen bonding and hydrophobic interaction is revealed, and the hydrophobic interaction provided by the hydrophobic substrate is proved to play a fundamental role in OMPs adsorption. The strong hydrogen bonds between the grafts and the OMPs are demonstrated by variable-temperature FTIR spectroscopy (vt-FTIR), C-13 nuclear magnetic resonance spectroscopy (C-13 NMR), and simulation calculations. The strong hydrogen bonds could increase the enthalpy change and enhance the adsorption affinity, so the NPPM has a strong adsorption affinity, which is 100 times that of similar adsorption membranes. This study not only presents an adsorptive membrane with great commercial potential in the rapid remediation of a water source but also opens a pathway to develop an adsorptive membrane with high water flux and strong adsorption affinity.

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Application In Synthesis of Anthrone. In 2020 POLYCYCL AROMAT COMP published article about MEALYBUG HOMOPTERA-PSEUDOCOCCIDAE; 2-ARYLALKYL-SUBSTITUTED ANTHRACENONES; 12-LIPOXYGENASE ENZYMES; ANTHRONE; INHIBITORS; TAUTOMERISM; DERIVATIVES; ANTITUMOR in [Dardeer, Hemat M.; Elboray, Elghareeb E.] South Valley Univ, Dept Chem, Fac Sci, Qena, Egypt; [Mohamed, Ghada S.] South Valley Univ, Plant Protect Dept, Fac Agr, Qena, Egypt in 2020, Cited 55. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8.

Anthrone tautomerized predominantly, under the reaction conditions, into anthrol and involved in the azo coupling reaction with aryl diazonium chloride to give the corresponding azo dye. UV-Vis experiments have supported the tautomerization of anthrone and the presence of the azo dye products in the hydrazone form. Aryl amines with broad biological applications have been involved to increase the utility of the obtained products. Preliminary antibacterial activity resulted in compounds7a,dwhich showed the lowest MIC values of 0.2 and 0.1 x 10(-3) mu g/mL againstEnterococcus feacalisandEscherichia coli, respectively. Furthermore, the insecticidal activity of the nominated compounds7a,bagainst the adults of vine mealybug,Planococcusficus(Signoret), showed LC(50)values of 152.22 and 216.12 mg/mL, respectively.

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Computed Properties of C7H8N2O. Authors Dan, YT; Ji, MY; Tao, SP; Luo, G; Shen, Z; Zhang, YL; Sang, WJ in ELSEVIER published article about in [Dan, Yitong; Ji, Mengyuan; Sang, Wenjing] Donghua Univ, Coll Environm Sci & Engn, Text Pollut Controlling Engn Ctr, Minist Environm Protect, Shanghai 201620, Peoples R China; [Tao, Shuping; Shen, Zheng; Zhang, Yalei] Tongji Univ, Natl Engn Res Ctr Protected Agr, Inst New Rural Dev, Shanghai 200092, Peoples R China; [Luo, Gang] Fudan Univ, Dept Environm Sci & Engn, Shanghai Key Lab Atmospher Particle Pollut & Prev, Shanghai 200433, Peoples R China in 2021.0, Cited 76.0. The Name is 1-Phenylurea. Through research, I have a further understanding and discovery of 64-10-8

The application of phenylurea herbicides (PUHs) may lead to the extensive distribution in soils, while the role of straw biochar as a soil amendment on the transport and sorption of PUHs are still unclear. Thus, the transport and sorption behavior of three typical PUHs with rice straw biochar (RSB) was studied in both adsorption simulation experiments of aqueous solution and packed column experiments:the sorption mechanism of RSB to herbicides was investigated through batch sorption studies with three influencing factors including dosage of RSB, pH, and ionic strength (IS) with orthogonal test. The sorption coeff icients were improved significantly by increasing the dosage of RSB, while there was no obvious influence by enhancing the pH and IS value. The optimal sorption conditions (pH value at 3, IS at 0.1 M, and RSB dosage at 60 mg) of three herbicides were set and the maximum removal rates of Monuron, Diuron, and Linuron were 41.9%, 25%, and 56.8%, respectively. The co-transport process of RSB and PUHs were investigated under different RSB dosage, pH value, and IS value. The retention effect increased greatly with enhancing the RSB dosage and pH value. However, IS did not have a significant influence on the retention of RSB, and therefore it had little effect on the adsorption capacity, which was consistent with the results of sorption experiments. The breakthrough curves (BTCs) for co-transport were well simulated by the two-site non-equilibrium convection-dispersion equation (CDE). Most of the regression coefficients (R-2) were above 0.99, which uncovered the co-transport in packed column were affected by physical absorption and chemical forces. According to the fitting parameters analysis, the RSB particles and PUHs were subjected to a greater resistance and a stronger stability by reducing pH value in porous media. The presence of RSB increased the amount of dynamic sorption sites in the entire co-transport system, which led to a significant promotion of the PUHs’ sorption and interception. (C) 2021 Elsevier B.V. All rights reserved.

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An article Solubility Measurement and Phase Equilibrium Modeling of 2-Aminobenzamide in 15 Pure Solvents WOS:000486361300027 published article about O-AMINOBENZAMIDE; ACID; WATER; OLIGOSACCHARIDES; MIXTURE in [Wu, Kui] Sun Yat Sen Univ, Sch Chem, Guangzhou 510275, Guangdong, Peoples R China; [Li, Yajun] Guangdong Acad Sci, Guangzhou Sugarcane Ind Res Inst, Guangdong Prov Bioengn Inst, Guangzhou S10316, Guangdong, Peoples R China in 2019, Cited 24. The Name is 2-Aminobenzamide. Through research, I have a further understanding and discovery of 88-68-6. Product Details of 88-68-6

The solubility of 2-aminobenzamide in 15 pure organic solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, n-pentanol, isopentanol, n-hexanol, n-octanol, acetone, ethyl acetate, acetonitrile, tetrahydrofuran, and methyl acetate, was measured using a gravimetric method over the temperature range from 273.15 to 324.15 K under atmosphere pressure. Four thermodynamic models, that is, Apelblat equation, 2,11 equation, nonrandom two-liquid equation, and Wilson equation, were applied to correlate the measured solubility data. The correlation results were evaluated by the relative average deviation. The results indicated that the mole fraction solubility increased with the rising of temperature in all 15 solvents, and the Wilson model gave the best fitting results. The experimental data and correlation models would be useful in the purification and synthesis process of 2-aminobenzamide.

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I found the field of Chemistry; Physics very interesting. Saw the article Reliable Predictions of Benzophenone Singlet-Triplet Transition Rates: A Second-Order Cumulant Approach published in 2021.0. Safety of Benzophenone, Reprint Addresses Velardo, A (corresponding author), Univ Salerno, Dipartimento Chim & Biol Adolfo Zambelli, I-84084 Fisciano, SA, Italy.; Velardo, A (corresponding author), Univ Torino, Dept Chem, I-10125 Turin, Italy.. The CAS is 119-61-9. Through research, I have a further understanding and discovery of Benzophenone

Fermi golden rule and second-order cumulant expansion of the time-dependent density matrix have been used to compute from first principles the rate of intersystem crossing in benzophenone, using minimum-energy geometries and normal modes of vibrations computed at the TDDFT/CAM-B3LYP level. Both approaches yield reliable values of the S-1 decay rate, the latter being almost in quantitative agreement with the results of time-dependent spectroscopic measurements (0.154 ps(-1) observed vs 0.25 ps(-1) predicted). The Fermi golden rule slightly overestimates the decay rate of S-1 state (k(d) = 0.45 ps(-1)) but provides better insights into the chemico-physical parameters, which govern the transition from a thermally equilibrated population of S-1, showing that the indirect mechanism is much faster than the direct one because of the vanishingly small Franck-Condon weighted density of states at Delta E of transition.

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Thiomorpholine – Wikipedia,
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Computed Properties of C7H5NO3. Authors Babaee, S; Chehardoli, G; Akbarzadeh, T; Zolfigol, MA; Mahdavi, M; Rastegari, A; Moghadam, FH; Najafi, Z in WILEY-V C H VERLAG GMBH published article about in [Babaee, Saeed; Zolfigol, Mohammad Ali] Bu Ali Sina Univ, Fac Chem, Dept Organ Chem, Hamadan 6517838683, Hamadan, Iran; [Chehardoli, Gholamabbas; Najafi, Zahra] Hamadan Univ Med Sci, Sch Pharm, Dept Med Chem, Hamadan 6517838678, Iran; [Akbarzadeh, Tahmineh; Rastegari, Arezoo] Univ Tehran Med Sci, Fac Pharm, Dept Med Chem, Tehran 1417614411, Iran; [Mahdavi, Mohammad] ACECR, Royan Inst Biotechnol, Cell Sci Res Ctr, Dept Cellular Biotechnol, Esfahan 8165131378, Iran; [Homayouni Moghadam, Farshad] Univ Tehran Med Sci, Endocrinol & Metab Clin Sci Inst, Endocrinol & Metab Res Ctr, Tehran 1411713137, Iran in 2021.0, Cited 32.0. The Name is 3-Nitrobenzaldehyde. Through research, I have a further understanding and discovery of 99-61-6

A novel series of tacrine based cyclopentapyranopyridine- and tetrahydropyranoquinoline-kojic acid derivatives were designed, synthesized, and evaluated as anti-cholinesterase agents. The chemical structures of all target compounds were characterized by H-1-NMR, C-13-NMR, and elemental analyses. The synthesized compounds mostly inhibited acetylcholinesterase enzyme (AChE) with IC50 values of 4.18-48.71 mu M rather than butyrylcholinesterase enzyme (BChE) with IC50 values of >100 mu M. Among them, cyclopentapyranopyridine-kojic acid derivatives showed slightly better AChE inhibitory activity compared to tetrahydropyranoquinoline-kojic acid. The compound 10-amino-2-(hydroxymethyl)-11-(4-isopropylphenyl)-7,8,9,11-tetrahydro-4H-cyclopenta[b]pyrano[2 ‘,3 ‘ : 5,6]pyrano[3,2-e]pyridin-4-one (6f) bearing 4-isopropylphenyl moiety and cyclopentane ring exhibited the highest anti-AChE activity with IC50 value of 4.18 mu M. The kinetic study indicated that the compound 6f acts as a mixed inhibitor and the molecular docking studies also illustrated that the compound 6f binds to both the catalytic site (CS) and peripheral anionic site (PAS) of AChE. The compound 6f showed moderate neuroprotective properties against H2O2-induced cytotoxicity in PC12 cells. The theoretical ADME study also predicted good drug-likeness for the compound 6f. Based on these results, the compound 6f seems to be a very promising AChE inhibitor for the treatment of Alzheimer’s disease.

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Safety of 2-Aminobenzamide. In 2019 TETRAHEDRON LETT published article about CATALYZED DENITROGENATIVE ANNULATION; TERT-BUTYL NITRITE; NEMATOCIDAL ACTIVITIES; SELECTIVE SYNTHESIS; DERIVATIVES; 1,2,3-BENZOTRIAZINE-4-(3H)-ONES; ACID in [Barak, Dinesh S.; Mukhopadhyay, Sushobhan; Dahatonde, Dipak J.; Batra, Sanjay] CSIR Cent Drug Res Inst, Med & Proc Chem Div, Sect 10,Jankipuram Extens,Sitapur Rd, Lucknow 226031, Uttar Pradesh, India; [Batra, Sanjay] CSIR HRDC, Postal Staff Coll Area, Sect 19, Ghaziabad 201002, India in 2019, Cited 39. The Name is 2-Aminobenzamide. Through research, I have a further understanding and discovery of 88-68-6.

An efficient transformation of 2-aminobenzamides to 1,2,3-benzotriazin-4(3H)-ones in the presence of sodium nitrite (NaNO2) and Iodine (I-2) is described. The reaction is proposed to proceed via formation of nitrosyl halide that induces nitrosylation of the amino group of 2-aminobenzamide leading to diazotization followed by intramolecular cyclization. (C) 2018 Elsevier Ltd. All rights reserved.

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Vyas, KM; Mandal, P; Singh, R; Mobin, SM; Mukhopadhyay, S in [Vyas, Komal M.; Mandal, Poulami; Singh, Rinky; Mobin, Shaikh M.; Mukhopadhyay, Suman] Indian Inst Technol Indore, Sch Basic Sci, Discipline Chem, Khandwa Rd, Indore 453552, India; [Vyas, Komal M.] Sardar Patel Univ, Dept Chem, Vallabh Vidyanagar 388120, Gujarat, India; [Mandal, Poulami] Helmholtz Zensrum Dresden Rossendorf, Dept Resource Ecol, D-01328 Dresden, Germany published Arene-ruthenium(II)-phosphine complexes: Green catalysts for hydration of nitriles under mild conditions in 2020, Cited 86. Name: 2-Aminobenzamide. The Name is 2-Aminobenzamide. Through research, I have a further understanding and discovery of 88-68-6.

Three new arene-ruthenium(II) complexes were prepared by treating [{RuCl(mu-Cl)(eta(6)-arene)}(2)] (eta(6)-arene = p-cymene) dimer with tri(2-furyl)phosphine (PFu(3)) and 1,3,5-triaza-7-phosphaadamantane (PTA), respectively to obtain [RuCl2(eta(6)-arene)PFu(3)] [Ru] -1, (RuCl(eta(6)-arene)(PFu(3))(PTA)]BF4 [Ru] -2 and HtuCl(eta(6)-arene)(PFu(3))(2)]BF4 [Ru] -3. All the complexes were structurally identified using analytical and spectroscopic methods including single-crystal X-ray studies. The effectiveness of resulting complexes as potential homogeneous catalysts for selective hydration of different nitriles into corresponding amides in aqueous medium and air atmosphere was explored. There was a remarkable difference in catalytic activity of the catalysts depending on the nature and number of phosphorus-donor ligands and sites available for catalysis. Experimental studies performed using structural analogues of efficient catalyst concluded a structural-activity relationship for the higher catalytic activity of [Ru] -1, being able to convert huge variety of aromatic, heteroaromatic and aliphatic nitriles. The use of eco-friendly water as a solvent, open atmosphere and avoidance of any organic solvent during the catalytic reactions prove the reported process to be truly green and sustainable.

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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem