Day: September 2, 2021

Chemistry involves the study of all things chemical – chemical processes, chemical compositions and chemical manipulation – in order to better understand the way in which materials are structured, how they change and how they react in certain situations. , Related Products of 148-25-4, 148-25-4, Name is 4,5-Dihydroxynaphthalene-2,7-disulfonic acid, molecular formula is C10H8O8S2, belongs to thiomorpholine compound. In a document, author is Sharma, Meenakshi, introduce the new discover.

An unusually nonplanar, ruffled structure that had been suspected for the previously reported [2,3-bismethylenethiomorpholinochlorinato] nickel (II) complex was confirmed by determination of its crystal structure. Treatment of this thiomorpholinochlorin with acid converts the exocyclic double bonds to direct links to the ortho-positions of both adjacent meso-phenyl groups. The crystal structure of this product indicated that the introduction of these linkages did not change the overall conformation of the macrocycle. The reactivity of the bis-linked thiomorpholine moiety with respect to Raney-nickel-induced (hydro)desulfurization reactions was probed, forming a bis-phenyl-linked 2,3-dimethylchlorin, also characterized by X-ray diffraction, and a bis-indeneannulated porphyrin. We also report on the synthesis of the oxygen analogue to the bis-linked thiomorpholine by reaction of a secochlorin bisketone nickel complex with Woollins’ reagent. We thus introduce novel methodologies toward the synthesis of porphyrinoids carrying beta-to-ortho-phenyl fusions and expand on the scope and limits of the chemistry and interconversion of pyrrole-modified porphyrins.

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

When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. In an article, author is Poce, Giovanna, once mentioned the application of 90-05-1, Name is Guaiacol, molecular formula is C7H8O2, molecular weight is 124.1372, MDL number is MFCD00002185, category is thiomorpholine. Now introduce a scientific discovery about this category, Reference of 90-05-1.

1,5-Diphenyl pyrroles were previously identified as a class of compounds endowed with high in vitro efficacy against M. tuberculosis. To improve the physical chemical properties and drug-like parameters of this class of compounds, a medicinal chemistry effort was undertaken. By selecting the optimal substitution patterns for the phenyl rings at N1 and C5 and by replacing the thiomorpholine moiety with a morpholine one, a new series of compounds was produced. The replacement of the sulfur with oxygen gave compounds with lower lipophilicity and improved in vitro microsomal stability. Moreover, since the parent compound of this family has been shown to target MmpL3, mycobacterial mutants resistant to two compounds have been isolated and characterized by sequencing the mmpL3 gene; all the mutants showed point mutations in this gene. The best compound identified to date was progressed to dose-response studies in an acute murine TB infection model. The resulting ED99 of 49 mg/Kg is within the range of commonly employed tuberculosis drugs, demonstrating the potential of this chemical series. The in vitro and in vivo target validation evidence presented here adds further weight to MmpL3 as a druggable target of interest for anti-tubercular drug discovery.

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

When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. In an article, author is Michalska, Katarzyna, once mentioned the application of 90-15-3, Name is 1-Naphthol, molecular formula is C10H8O, molecular weight is 144.1699, MDL number is MFCD00003930, category is thiomorpholine. Now introduce a scientific discovery about this category, Synthetic Route of 90-15-3.

Sutezolid is a new oxazolidinone derivative currently in clinical trials to determine its safety and efficacy towards highly drug-resistant tuberculosis. The aim of the study was the spectroscopic identification of selected key intermediate products of the chiral pool synthesis of sutezolid: (S1) (4-(2-fluoro-4-nitrophenyl)thiomorpholine), (S2) 4-[2-fluoro-4-(benzyloxycarbonyl)aminophenyl] thiomorpholine, (S4) (R)-[[3-[3-fluoro-4-(4-thiomorpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-p-toluenesulfonate, (S5) (R)-[[3-(3-fluoro-4-(4-thiomorpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]azide, as well as (S6) sutezolid, the final synthesis product. Spectroscopic identification was carried out based on infrared spectra analysis (FT-IR) and Raman scattering. This part of the analysis was supported by quantum chemical calculations based on the density functional theory (DFT) utilizing the B3LYP hybrid functional and the 6-31G(d,p) basis set to obtain reference standards for intermediates and sutezolid. Additionally, the sutezolid configuration was confirmed by analysing the electronic circular dichroism (ECD) spectra of (S)-and (R)-isomers, combined with the time-dependent DFT calculations to simulate ECD spectra depending on the solvent and type of conformers. (C) 2020 Elsevier B.V. All rights reserved.

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

When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. In an article, author is Medcalf, BD, once mentioned the application of 90-01-7, Name is Salicyl Alcohol, molecular formula is C7H8O2, molecular weight is 124.1372, MDL number is MFCD00004617, category is thiomorpholine. Now introduce a scientific discovery about this category, Application of 90-01-7.

The behavior of a non-incinerative reductive thermal cocurrent flow gasification process (ChemChar Process) when used to treat representative sulfur compounds is reported. Gasification of 1,3-benzenedisulfonic acid, thiomorpholine, and sulfuric acid converts the sulfur in these compounds to H2S, OCS, and elemental sulfur. The H2S and OCS are released in the synthesis with the gas product from which they can be scrubbed, with the elemental sulfur being deposited on the char matrix. No production of sulfur dioxide was detected. Gasified sulfur products recovered amounted to 89-114% of the total sulfur present in the sulfur compounds gasified, although exact mass balances could not be obtained due to the sulfur present in the char. (C) 1998 Elsevier Science Ltd. All rights reserved.

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

Related Products of 446-32-2, Career opportunities within science and technology are seeing unprecedented growth across the world, and those who study chemistry or another natural science at university now have increasingly better career prospects.446-32-2, Name is 2-Amino-4-fluorobenzoic acid, SMILES is O=C(O)C1=CC=C(F)C=C1N, belongs to thiomorpholine compound. In a article, author is Ibis, Cemil, introduce new discover of the category.

Thiosubstituted nitrodien compounds 1a-f are obtained from 2-nitropentachlorobutadiene and some alifatic thiols. Compounds 1a-f have reacted with thiomorpholine 2 and yielded 3a-f in CH2Cl2. The compounds 5a-f have been obtained by the reactions of 1a-f with N-(diphenylmethyl)piperazine 4 in CH2Cl2. 2-Nitro-3,4,4-trichloro-1-(ethylthio)-1-[4-(1-diphenylmethyl)-piperazin-1-yl]-1,3-butadiene 5a is synthesized and its crystal structure is determined. The compound 5a crystallizes in the orthorhombic crystal system (space group P2(1)2(1)2(1)) with the unit cell parameters a = 9.4240(2) angstrom, b = 14.4007(2) angstrom, c = 18.1891(2) angstrom, alpha, beta, gamma = 90 degrees, V = 2468.48(7) angstrom(3), Z = 4. The structure has been solved by direct methods (SIR92) and refined to the residual index R-1 = 0.078.

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

Electric Literature of 586-38-9, Chemical engineers ensure the efficiency and safety of chemical processes, adapt the chemical make-up of products to meet environmental or economic needs, and apply new technologies to improve existing processes. 586-38-9, Name is 3-Methoxybenzoic acid, SMILES is O=C(O)C1=CC=CC(OC)=C1, belongs to thiomorpholine compound. In a article, author is Yu, SR, introduce new discover of the category.

A measurement system for cystathionine (Cysta) lanthionine (LT), and S-(2-aminoethyl)-L-cysteine (AEC), and reduced products of their ketimines, perhydro-1,4-thiazepine-3,5-dicarboxylic acid (PHTZDC), 1,4-thiomorpholine-3,5-dicarboxylic acid (TMDA) and 1,4-thiomorpholine-3-carboxylic acid (TMA) in the urine samples of a patient with cystathioninuria and normal human subjects has been developed, using column liquid chromatography-mass spectrometry. The recoveries were about 90-105% for Cysta, LT and AEC, and about 77-87% for PHTZDC, TMDA and TMA after ion-exchange treatment. The concentrations of Cysta and PHTZDC in the urine of a patient with cystathioninuria were much higher compared with those in the urine of normal human subjects. The concentrations of AEC and TMDA were almost the same. LT and TMA could not be detected in the urine samples by this method. This method proved useful for the determination of sulfur-containing amino acids and their cyclic compounds in biological samples. (C) 1997 Elsevier Science B.V.

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

Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. In an article, author is Clifford, Sarah E., once mentioned the application of 2695-37-6, Name is Sodium 4-vinylbenzenesulfonate, molecular formula is C8H7NaO3S, molecular weight is 206.1942, MDL number is MFCD00013379, category is thiomorpholine. Now introduce a scientific discovery about this category, Application In Synthesis of Sodium 4-vinylbenzenesulfonate.

Complexation of the symmetric cyclic diamine piperazine (1,4-diazacyclohexane) has been examined in dry dimethyl formamide by spectrophotometric titrations (with Cu2+, Ni2+) to define formation constants, and by stopped-flow kinetics to define the complexation rates and reaction pathway. Initial formation of a rarely observed eta(1)-piperazine intermediate occurs in a rapid second-order reactions. This intermediate then undergoes two competing reactions: formation of (chelated) eta(2)-piperazine (ML) or the formation of (bridging) mu-piperazine (in M2L and M2L3, speciation depending on relative concentrations). Protonation constants and formation constants for complexation in water of N-ethylpiperazine and thiomorpholine (1-aza-4-thiocyclohexane, tm) have been determined by potentiometric titration; 1:1 complexes with first-row M2+ display a log K from similar to 4 to 6, with speciation that suggests chelation of the heterocycles may be involved. Complexation of thiomorpholine has been further probed by the synthesis of Pd-II complexes. The N-monodentate coordination mode has been confirmed in trans-[Pd(tm)(2)Br-2] by an X-ray crystal structure. Complexation of N-(2-aminoethyl)piperazine to Cu-II as a bidentate ligand involving the primary and tertiary amines is also defined by an X-ray crystal structure.

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

When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. In an article, author is Shimozu, Yuuki, once mentioned the application of 84-51-5, Name is 2-Ethylanthracene-9,10-dione, molecular formula is C16H12O2, molecular weight is 236.2653, MDL number is MFCD00001237, category is thiomorpholine. Now introduce a scientific discovery about this category, Category: thiomorpholine.

4-Oxo-2-nonenal (ONE), an aldehyde originating from the peroxidation of omega 6 polyunsaturated fatty acids, preferentially reacts with the cysteine residues of protein. Despite the fact that there has been significant recent interest in the protein reactivity and biological activity of ONE, the structural basis of the ONE-cysteine adducts remain to be established. In the present study, to gain a structural insight into the sulfhydryl modification by ONE, we characterized reaction products that originated from the initial ONE-cysteine Michael adducts. N-Acetyl-L-cysteine (10 mM) was incubated with an equimolar concentration of ONE in 0.1 M phosphate buffer (pH 7.4) at 37 degrees C. Within I h of incubation, the reaction of N-acetyl-L-Cysteine with ONE resulted in the formation of two (C-2 and C-3) Michael addition products possessing a carbonyl functionality. Subsequent incubation of the reaction mixture resulted in their disappearance and concomitant formation of advanced reaction products, including a minor product III and major products IVa, IVb, and V. Product III was identified to be a thiomorpholine derivative, 4-acetyl-5-hydroxyl-6-(2-oxoheptyl)thiomorpholine-3-carboxylic acid, which might have originated from the C-2 Michael addition product. The major products were identified to be the novel 2-cyclopentenone derivatives, that is, 2-(acetylamino)-3-[(3-butyl-4-oxocyclopent-2-en-1-yl)sulfanyl] propionic acid (IVa and its isomer IVb) and 2-(acetylamino)-3-[(4-butyl-5-oxocyclopent-3-en-1-yl)sulfanyl]propionic acid (V), which might be generated through the base-catalyzed cyclization of the C-2 and C-3 Michael addition products, respectively. The furan derivative, which has been reported as the end product of the Michael adducts, was found to be formed only under acidic conditions. Thus, this study identified the novel ONE-cysteine adducts, including the most prominent 2-cyclopentenone derivatives, that originated from the initial Michael adducts.

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Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Healthcare careers for chemists are once again largely based in laboratories, although increasingly there is opportunity to work at the point of care, helping with patient investigation. 492-37-5, Name is 2-Phenylpropionic acid, molecular formurla is C9H10O2. In a document, author is Deniz, Nahide Gulsah, introducing its new discovery. Related Products of 492-37-5.

Polyhalogenated-2-nitro-1, 3-butadienes are important synthetic precursors for a variety of poly-functionalized bioactive heterocycles. Herein, we report the reactions of 1, 1, 3, 4, 4-pentachloro-2-nitro-1, 3-butadiene 1 and 4-bromo-1, 1, 3, 4-tetrachloro-2-nitro-1, 3-butadiene 2 with amino and thiol containing nucleophiles to obtain highly functionalized (E)-polyhalodiene-2-nitro-1, 3-butadiene derivatives. Most of these reactions were found to be highly selective resulting in good to high yields of the products. All new compounds have been characterized by nuclear magnetic resonance spectroscopy (NMR), mass spectrometry (MS) and Fourier transform infrared spectroscopy (FT-IR) spectroscopic data. Single crystal X-ray structure analysis of compound 8c is reported.

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

New research progress on 3171-45-7 in 2021. Having gained chemical understanding at molecular level, chemistry graduates may choose to apply this knowledge in almost unlimited ways, as it can be used to analyze all matter and therefore our entire environment. 3171-45-7, Name is 4,5-Dimethylbenzene-1,2-diamine, molecular formurla is C8H12N2. In a document, author is KRISHNAIAH, M, introducing its new discovery. Category: thiomorpholine.

The crystal structure determination of C25H23NO5S reveals that the thiomorpholine ring adopts a slightly distorted chair conformation. All the substituents on heterorings are equatorially oriented. There are no short intermolecular distances and the structure is stabilized with van der Waals interactions.

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