Tag: M.W=300-400

Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, 119-47-1, Name is 2,2-Methylenebis(6-tert-butyl-p-cresol), SMILES is OC1=C(CC2=C(O)C(C(C)(C)C)=CC(C)=C2)C=C(C)C=C1C(C)(C)C, belongs to thiomorpholine compound. In a document, author is Babic-Samardija, K., introduce the new discover, Recommanded Product: 119-47-1.

Molecular structure in correlation with electrochemical properties of mixed-ligand cobalt(III) complexes

Four mixed-ligand cobalt(III) complexes (1-4) of the general formula [Co(Rdtc)cyclam](ClO4)(2) and [Co(Rac)cyclam](ClO4)(2) (cyclam = 1,4,8,11-tetraazacyclotetradecane; Rdtc = thiomorpholine-(Timdtc) or 2-methylpiperidine-(2-Mepipdtc) dithiocarbamates; Rac = 1,1,1,5,5,5-hexafluoro-2,4-pentanedionato (Hfac) or 2,2,6,6-tetramethyl-3,5-heptanedionato (Tmhd), respectively) were electrochemically examined on a glassy carbon and an iron electrode in perchloric acid solution. The obtained results showed the influence of these complexes on hydrogen evolution, the oxygen reduction reaction and iron dissolution. The exhibited effects of the complexes on these reactions depend on structure related to the bidentate dithiocarbamato or beta-diketonato ligand. The electrochemical properties of the complexes were correlated with molecular structure and parameters derived from spectral analysis and molecular modeling.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 119-47-1 is helpful to your research. Recommanded Product: 119-47-1.

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

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. 115-86-6, Name is Triphenyl phosphate, SMILES is O=P(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3, in an article , author is Ganou, C. A., once mentioned of 115-86-6, Application In Synthesis of Triphenyl phosphate.

Docking analysis targeted to the whole enzyme: an application to the prediction of inhibition of PTP1B by thiomorpholine and thiazolyl derivatives

PTP1b is a protein tyrosine phosphatase involved in the inactivation of insulin receptor. Since inhibition of PTP1b may prolong the action of the receptor, PTP1b has become a drug target for the treatment of type II diabetes. In the present study, prediction of inhibition using docking analysis targeted specifically to the active or allosteric site was performed on 87 compounds structurally belonging to 10 different groups. Two groups, consisting of 15 thiomorpholine and 10 thiazolyl derivatives exhibiting the best prediction results, were selected for in vitro evaluation. All thiomorpholines showed inhibitory action (with IC50 = 4-45 M, Ki = 2-23 M), while only three thiazolyl derivatives showed low inhibition (best IC50 = 18 M, Ki = 9 M). However, free binding energy (E) was in accordance with the IC50 values only for some compounds. Docking analysis targeted to the whole enzyme revealed that the compounds exhibiting IC50 values higher than expected could bind to other peripheral sites with lower free energy, E-o, than when bound to the active/allosteric site. A prediction factor, E- (sigma(Eo) x 0.16), which takes into account lower energy binding to peripheral sites, was proposed and was found to correlate well with the IC50 values following an asymmetrical sigmoidal equation with r(2) = 0.9692.

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

Synthetic Route of 531-91-9, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 531-91-9, Name is N4,N4′-Diphenyl-[1,1′-biphenyl]-4,4′-diamine, SMILES is C1(C2=CC=C(NC3=CC=CC=C3)C=C2)=CC=C(NC4=CC=CC=C4)C=C1, belongs to thiomorpholine compound. In a article, author is Ristic, Predrag, introduce new discover of the category.

Influence of C-H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study

Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has shown that 1 represents the first monomeric metal complex with this ligand type with an axial M-S bond with respect to the TM-CN ring chair conformation, while in 2 a typical equatorial M-S bond position with respect to the ring chair conformation was observed. A detailed DFT investigation revealed that axial conformers are more stable for molecular forms of both metals, while intermolecular interactions in the crystals stabilize the axial conformer for Pt(II) and the equatorial conformer for Pd(II). The magnitude of this stabilization in the case of 2 is large enough to change the most stable axial conformer in the molecular form to the equatorial conformer in the crystal. Further investigation of the strength of individual intermolecular interactions revealed significant differences of some interactions between the two structures. The likely cause of the difference in the crystal structures of experimentally obtained complexes is the fact that 1 and 2 exhibit different dominant interactions: C-H/M and C-H/S are more dominant in 1 and C-H/Cl interactions are more dominant in 2. In addition, DFT calculations have shown that while the axial position of the Pt-S bond with respect to the ring chair conformation results in a significantly shorter C-H/Pt interaction distance than that in the hypothetical equatorial conformer, there is very little difference in C-H/Pd interaction distances in conformers with axial and equatorial positions of Pd-S bond with respect to the ring chair conformation.

Synthetic Route of 531-91-9, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 531-91-9 is helpful to your research.

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

Synthetic Route of 14470-28-1, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 14470-28-1, Name is (Chloro(4-methoxyphenyl)methylene)dibenzene, SMILES is ClC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(OC)C=C3, belongs to thiomorpholine compound. In a article, author is Graton, J, introduce new discover of the category.

Hydrogen-bond basicity pK(HB) scale of secondary amines

Using 4-fluorophenol as a reference hydrogen-bond donor, equilibrium constants K for the formation of 1 : 1 hydrogen-bonded complexes have been obtained by FTIR spectrometry for 33 secondary amines in CCl4 and/or C2Cl4 at 298 K. A spectroscopic scale of hydrogen-bond basicity is constructed from the IR frequency shift Av(OH) of methanol hydrogen-bonded to secondary amines. The comparison of the pK(HB) (log K), Deltav(OH), and pK(a) scales points to the sensitivity of pK(HB) to steric effects, and of Deltav(OH) to the p character of the nitrogen lone pair. The pKHB scale of secondary amines extends from 2.59 for pyrrolidine to -0.45 for (Me3Si)(2)NH. The main effects explaining the pK(HB) variations are (i) the opposite polarizability and steric effects in alkylamines, (ii) field-inductive effects (e.g N drop CCH2NHMe), (iii) intramolecular hydrogen bonding, e.g. in (MeOCH2CH2)(2)NH, and (iv) the ring size giving the order: pyrrolidine = azetidine > piperidine > 2-methylaziridine > azepane. IR spectra show the attachment of 4-fluorophenol to the nitrile nitrogen of N drop CCH2NHMe and N drop CCH2CH2NHMe, to the oxygen of morpholine and (MeOCH2CH2)(2)NH, and to the sulfur of thiomorpholine and thiazolidine, in addition to attachment to the amino nitrogen. The correlation of pK(HB) with the minimum electrostatic potential on the nitrogen lone pair is used for unravelling the basicity of each nitrogen of 1-methyl-1,4-diazepane.

Synthetic Route of 14470-28-1, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 14470-28-1 is helpful to your research.

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

Reference of 16292-17-4, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 16292-17-4, Name is Bis(4-bromophenyl)amine, SMILES is BrC1=CC=C(NC2=CC=C(Br)C=C2)C=C1, belongs to thiomorpholine compound. In a article, author is Amezcua, CA, introduce new discover of the category.

Synthesis and comparative reactivity of thiomorpholine-borane: aqueous hydrolysis and oxidation by hypochlorite

Thiomorpholine-N-borane was synthesized via amine displacement of BH3 from tetrahydrofuran-borane which had been prepared from NaBH4 and BF3. Et2O in tetrahydrofuran. Acid-catalyzed hydrolysis occurs only slightly faster than for morpholine-borane, the difference being attributed to a small difference in the electronic inductive effects of sulfur and oxygen in the 4-position of the respective adducts. Reaction with NaOCl exhibits a stoichiometric [OCl-]:[S(CH2)(4)NHBH3] ratio of 5:1. This is attributed to consumption of 3 mol of hypochlorite for the oxidation of hydridic hydrogen in BH3, one for the chlorination of nitrogen and another in attack at sulfur presumably resulting in sulfoxide formation. At pH 9.1-10.4, the initial reaction of hypochlorite with thiomorpholine-borane is several times faster than with morpholine-borane and, unlike the reaction with morpholine-borane, relatively insensitive to pH. Whereas hypochlorite oxidation of morpholine-borane has been proposed to occur primarily through reaction with HOCl, it is speculated that thiomorpholine-borane is also susceptible to attack by hypochlorite ion. (C) 1999 Elsevier Science S.A. All rights reserved.

Reference of 16292-17-4, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 16292-17-4 is helpful to your research.

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

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 115-86-6, Name is Triphenyl phosphate, molecular formula is C18H15O4P. In an article, author is Szawkalo, Joanna,once mentioned of 115-86-6, Computed Properties of C18H15O4P.

Synthesis and dynamic stereochemistry of 4-aryl-thiomorpholine-3,5-dione derivatives

A series of new N-aryl-substituted thiomorpholine-3,5-diones were synthesized. Crystal structures of seven compounds were established on the basis of X-ray crystallography. Stable at room temperature diastereomers were detected for (2-phenyl)-substituted derivatives using H-1 NMR. The dynamic stereochemistry of compound 36 was studied with variable-temperature H-1 NMR and the mechanism of diastereomers interconversion was proposed on the basis of quantum chemical calculations. (C) 2014 Elsevier B.V. All rights reserved.

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

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , Recommanded Product: 101-20-2, 101-20-2, Name is 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea, molecular formula is C13H9Cl3N2O, belongs to thiomorpholine compound. In a document, author is Capperucci, Antonella, introduce the new discover.

Selective access to sulfurated and selenated heterocycles by intramolecular cyclization of beta-substituted sulfides and selenides

delta-Hydroxy- and delta-amino alpha-thio-esters, easily obtainable through S-alkylation of beta-mercapto alcohols and delta-amino thiols with bromo acetate, behave as suitable starting compounds to obtain various 2-hydroxy-1,4-oxathianes and (S)-3,4-dihydro-2H-1,4-thiazines via a reductive ring closure. Under similar conditions, selenated heterocycles are also synthesized. [GRAPHICS] .

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 101-20-2. Recommanded Product: 101-20-2.

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

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. 83846-85-9, Name is Phenyl(4-(p-tolylthio)phenyl)methanone, SMILES is O=C(C1=CC=CC=C1)C2=CC=C(SC3=CC=C(C)C=C3)C=C2, in an article , author is Sovilj, Sofija P., once mentioned of 83846-85-9, Name: Phenyl(4-(p-tolylthio)phenyl)methanone.

Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S ‘-ligands

Five new dioxomolybdenum(VI) complexes of the general formula [MoO2(Rdtc)(2)], 1-5, where Rdtc(-) refer to piperidine (Pipdtc), 4-morpholine (Morphdtc), 4-thiomorpholine (Timdtc), piperazine (Pzdtc) or N-methylpiperazine (N-Mepzdtc) dithiocarbamates, respectively, have been prepared. The complexes were characterized by elemental analysis, conductometric measurements, electronic, IR and NMR spectroscopy. The complexes 1-5 contain a cis-MoO2 group and have an octahedral geometry. Two dithiocarbamato ions join as bidentates with both the sulfur atoms to the molybdenum atom. The presence of different heteroatoms in the piperidino moiety influences the v(C=N) and v(C=S) vibrations, which wavelengths decrease in the order: Pipdtc > N-Mepzdtc > Morphdtc > Pzdtc > Timdtc ligands. Based on their spectral data, the molecular structures of complexes 1-5 were optimized at the semi-empirical molecular-orbital level, and the geometries, as obtained from calculations, are described. The antimicrobial activities of the complexes were tested against nine different laboratory control strains of bacteria and two strains of the yeast Candida albicans. All the tested strains were sensitive. Complexes bearing heteroatom in position 4 of piperidine moiety were significantly more potent against the tested bacteria compared to the corresponding ligands.

Interested yet? Read on for other articles about 83846-85-9, you can contact me at any time and look forward to more communication. Name: Phenyl(4-(p-tolylthio)phenyl)methanone.

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

In an article, author is Soliman, Beatrice, once mentioned the application of 115-86-6, Formula: C18H15O4P, Name is Triphenyl phosphate, molecular formula is C18H15O4P, molecular weight is 326.2831, MDL number is MFCD00003031, category is thiomorpholine. Now introduce a scientific discovery about this category.

Synthesis and biological evaluation of heteroalicyclic cyanoguanidines at histamine receptors

Recent studies on histamine receptor (HR) subtypes identified imidazolyl butyl cyanoguanidines, like UR-PI376, as highly potent agonists at the human histamine H-4 receptor (hH(4)R). While imidazole-containing compounds display drawbacks in pharmacokinetics, we studied the possibility of replacing the heteroaromatic cycle by nonaromatic six-membered heterocycles (piperidine, morpholine, thiomorpholine, and N-methylpiperazine) as potential bioisosteres. Beyond that, this approach should give more information about the indispensability of the aromatic ring as a basic head group. Besides these changes, a variation of the spacer length (C-3-C-5) connecting the heterocycle and the cyanoguanidine moiety has been made to possibly trigger the selectivity towards the respective HRs. Investigations in radioligand-binding assays exhibited only very weak activity at the hH(1)R and hH(3)R, while nearly all compounds were inactive at the hH(2)R and hH(4)R. In the case of piperidine-containing compounds, moderate affinities at the hH(3)R over the single-digit micromolar range were detected.

If you are interested in 115-86-6, you can contact me at any time and look forward to more communication. Formula: C18H15O4P.

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

Chemistry, like all the natural sciences, Formula: C23H32O2, begins with the direct observation of nature¡ª in this case, of matter.119-47-1, Name is 2,2-Methylenebis(6-tert-butyl-p-cresol), SMILES is OC1=C(CC2=C(O)C(C(C)(C)C)=CC(C)=C2)C=C(C)C=C1C(C)(C)C, belongs to thiomorpholine compound. In a document, author is Gischig, S, introduce the new discover.

Pd-II complexes of tridentate PCP N-heterocyclic carbene ligands: Structural aspects and application in asymmetric hydroamination of cyano olefins

The synthesis of the ligand precursor 1,3-bis{(R)-1-[(S)-2(diphenylphosphanyl)ferrocenyl]ethyl}imidazolium iodide ([PCPH]I,1) was extended to the electronically and sterically modified ligand precursors 1,3-bis{(R)-1-[(S)-2-{[3,5-bis(tri- fluoromethyl) phenyl] phosphanyl}ferrocenyl] ethyl}imidazolium iodide ([3,5-CF3-PCPH]I, 6), and 1,3-bis[(R)-1-{(S)-2[bis(3,5-dimethylphenyl)phosphanyl)ferrocenyl}ethyl]imidazolium iodide ([3,5-Me-PCPH]I, 7). Palladium complexes were prepared starting from [Pd(OAc)(2)](3) in THF to afford [PdI(PCP)]OAc (8), [Pd(OAc)(3,5-CF3-PCP)]I (9), and [PdI(3,5-Me-PCP)]OAc (10), in excellent yields. The crystal structures of the ligand precursor [3,5-CF3-PCPH]I (6), the complex [PdI(3,5-CF3-PCP)]PF6 (14), as well as the dicationic complex [Pd(NCCH3)(PCP)](PF6)(2) (11), were determined by X-ray diffraction. Complex 11 and its derivative [Pd(NCCH3)(3,5-Me-PCP)](PF6)(2) (13) have been tested as catalysts in the asymmetric addition of, for example, thiomorpholine to methacrylonitrile giving selectivities up to 63 and 75 % ee, respectively, at -80 degrees C. ((c) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005).

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 119-47-1. Formula: C23H32O2.

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