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Electrochemical Evaluation and DFT Studies of 2-(4-chlorophenyl)-3-hydroxy-4,6-dioxo-8-phenyl-4,6-dihydropyrimido[2,1-b][1,3]thiazine-7-carbonitrile of Carbon Steel Corrosion in Hydrochloric Acid

In present study corrosion inhibition property of 2-(4-chlorophenyl)-3-hydroxy-4,6-dioxo-8-phenyl-4,6-dihydropyrimido[2,1-b][1,3]thiazine-7-carbonitrile (CHPPC) in 1.0 M HCl was investigated using electrochemical impedance spectroscopy, potentiodynamic polarization and DFT studies. From electrochemical measurements it is observed that inhibition efficiency increases with CHPPC concentration and maximum efficiency (98.9) was obtained at 1.0 mM. The potentiodynamic study reveals that pyrimidothiazine derivative is a mixed type inhibitor with predominant cathodic action. EIS plot indicates that the addition of inhibitor increases the charge-transfer resistance (Rct) and decreases the double-layer capacitance (Cdl) of the corrosion process, these observation reveal that investigated pyrimidothiazine derivative inhibits carbon steel corrosion by adsorption mechanism. Adsorption of pyrimidothiazine derivative on carbon steel surface obeys the Langmuir adsorption isotherm. The effect of temperature on the corrosion rate was investigated and some thermodynamic parameters were also calculated in order to explain the mechanism of adsorption. A theoretical study of the corrosion inhibition efficiency of this pyrimidothiazine derivative, was carried out using density functional theory (DFT) at the B3LYP/6-31G(d) level of theory.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Our Top Choice Compound: C2H6O5S2

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Peroxide-free synthesis of benzo[b][1,4]thiazine 1,1-dioxides and their antimicrobial study

A peroxide-free reaction protocol for the oxidation of benzo[b][1,4]thiazines has been developed under mild conditions. A library of benzo[b][1,4]thiazine 1,1-dioxide derivatives with broad functionalities have been synthesized in high yields. An in vitro antimicrobial study along with statistical analysis, MIC study and bacterial killing kinetics were investigated. The synthesized 1,4-benzothiazine sulfone derivatives possess strong antimicrobial activity against the reference strains.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

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A synthesis of functionalized arylthio-acrylates, benzo[b][1,4]thiazines and benzo[4,5]thiazolo[3,2-a]azepines from 2-methylbenzothiazole and acetylenic esters in aqueous media

Alkyl (Z)-3-((2-(N-((E)-3-methoxy-3-oxoprop-1-en-1-yl)acetamido)phenyl)thio)acrylates are obtained from the reaction between 2-methylbenzothiazole and alkyl propiolates in 70% aqueous alcohol, in moderate yields. When dialkyl acetylenedicarboxylates were used under similar conditions, tetra-alkyl 9,10-dihydrobenzo[4,5]thiazolo[3,2-a]azepine-7,8,9,10-tetracarboxylates, together with dialkyl 4-acetyl-3,4-dihydro-2H-benzo[b][1,4]thiazine-2,3-dicarboxylates were obtained in about 4:1 ratios. The stereochemistry of these products has been confirmed by X-ray diffraction.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

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Novel arylazothiazoles and arylazo[1,3,4]thiadiazoles as potential antimicrobial and anticancer agents: synthesis, molecular modeling, and biological screening

In this study, we tested two novel series of 5-arylazo-2-hydrazonothiazoles 6a-g and 2-hydrazono[1,3,4]thiadiazoles 12a-c as antimicrobial and anticancer agents. These series were prepared from the reactions of 2-{1-[4-(2,4-dihydroxyphenylazo)phenyl]ethylidene}thiosemi-carbazide (3) with alpha-keto hydrazonoyl halides and N-aryl arenecarbohydrazonoyl halides. The structures of the newly synthesized compounds were elucidated by infrared, H-1 and C-13 nuclear magnetic resonance, and gas chromatography mass spectrometry spectral data. The antibacterial activity against two types of Gm +ve bacteria and, two types for Gm -ve bacteria, and the antifungal activity against four fungi microorganisms were evaluated by a well diffusion method for the synthesized compounds. Of these novel compounds, thiazole derivatives 6a-g showed mostly promising antibacterial activity against Gm +ve strains and antifungal activity compared to the reference drugs. A successful step was achieved to explain of their mode of action through molecular docking of the most active molecules at a target enzyme, CYP51. Moreover, the antiproliferative activity was tested against three human carcinoma cell lines [human colon carcinoma (HCT-116), human breast adenocarcinoma (MCF-7), and human liver carcinoma (HEPG-2)], showing promising anticancer activities compared to the doxorubicin drug. The data suggest that the arylthiazole scaffold derivatives 6a-g exhibited good antimicrobial and anticancer activities and might be used as leads for further optimization.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Interesting scientific research on Methanesulfonic anhydride

Application of 7143-01-3, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 7143-01-3.

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The complex of zinc with N-(5,6-dihydro-4H-1,3-thiazine-2-yl)benzamide

A complex of zinc with N-(5,6-dihydro-4H-1,3-thiazin-2-yl)benzamide (L) ligand, LZnCl2, was synthesized for subsequent medical trials. The molar extinction coefficients were determined for LHBr solutions in water and physiological saline, and for LZnCl2 ethanol solution. The ligand stability in various solvents was evaluated and the value of its protonation constant was found for the physiological saline solution, logK = 5.3 +/- 0.2. The impossibility of determination of the complex stability constant by the potentiometric titration method was demonstrated. The complex exhibited an insufficient stability in aqueous and physiological saline solutions, but was stable as the solution in alcohol. There was no sorption observed upon the treatment of ligand with hydroxyapatite nanoparticles, which could be a potential carrier for the therapeutic form of LZnCl2, providing additional degrees of freedom for the interaction of ligand with cell membranes and a prolonged action of zinc ions.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

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Synthesis of Some New Azoloazines with Potent Anti-inflammatory and Analgesic Activity

Starting from pyrimidine-2-thiones, a set of new fused triazoles, thiazoles, and thiazines has been obtained. The mechanistic pathway and structures of all the novel products were ascertained on the foundation of spectral information and elemental analyses. The analgesic and anti-inflammatory activities of all the prepared compounds were predestined. The outcomes disclosed that all of the examined samples revealed potent activity. Moreover, the relation between the structure and the activity has been researched.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

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Synthesis of 5,6-dihydro-4H-1,3-thiazine containing peptide mimics from N-(3-hydroxypropyl)thioamides and epimerization studies

The first synthesis of 1,3-thiazine fused peptide mimics is described from N-(3-hydroxypropyl)thioamides under MsCl/NEt3 conditions. The method is amenable to oligopeptidomimics with polar and apolar side chains. Substantial epimerization occurs at chiral C(2) exo methines in non-Pro fused mimics even under neutral conditions. H-1 NMR and crystal structure analyses indicate that the Thi analogues primarily associate with each other through intermolecular hydrogen bonds, involving the nitrogen of 1,3-thiazine and the N-H of the fused residue, which may be the basis for enamination-racemization process in these peptide mimics. (C) 2014 Elsevier Ltd. All rights reserved.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

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Crystal structures of two 2,3-diary1-2,3-dihydro-4H1,3-benzothiazin-4-ones

The syntheses and crystal structures of 2,3-bis[3-(trifluoromethyl)phenyl]-2,3dihydro-4H-1,3-benzothiazin-4-one (di-m-CF3; C22H13F6NOS) (1) and 2,3-bis(4-methylphenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one (di-p-CH3; C22H9NOS) (2) are reported. Each structure is racemic: the asymmetric unit of 2 consists of two molecules. In both 1 and 2, the six-membered 1,3-thiazine ring is close to an envelope conformation with the chiral C atom forming the flap. In 1, the 2-aryl group is pseudo-equatorial, while in 2 it is pseudo-axial. In 1, the pendant aryl rings form a V shape with an inter-centroid distance of 3.938 (3) A and an acute dihedral angle of 48.3 (2) between them. Both CF3 groups are disordered over two orientations in 0.687 (19):0.313 (19) and 0.667 (16):0.33 (16) ratios. In each of the independent molecules of 2, the aryl rings are almost orthogonal to each other [dihedral angles = 85.50 (12) and 86.07 (11) I. In both structures, the chiral C atom and the 0 atoms participate in C-H center dot center dot center dot O-type hydrogen bonding between symmetry-related molecules of 1 or the independent enantiomers in 2, forming chains along the c-axis direction in 1 and the b-axis direction in 2. Additionally, in 1, pi-pi contacts of both face-to-face and edge-to-face type, as well as pi-H center dot center dot center dot O and pi-H center dot center dot center dot F interactions are observed. In 2, a racemic mixture of molecules forms layers in the ac plane linked by weak pi-pi and C-H center dot center dot center dot pi interactions.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

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REACTIONS OF 1,3-THIAZINE-2,6-DITHIONES. PART 8.(1) FORMATION OF A NEW SERIES OF 2-PYRROLINE-4-THIONES BY THE REARRANGEMENT OF 1,3-THIAZINE-6-SPIRO-2′-THIIRANE-2-THIONES AND 2-METHYLTHIO-1,3(6H)-THIAZINE-6-SPIRO-2′-THIIRANES AND SOME RELATED REACTIONS

1,3(6H)-Thiazine-6-spiro-2′-thiirane-2-thiones 2a-c and 3′,3′-di substituted 2-methylthio-1,3-thiazine-6-spiro-2′-thiiranes 12a-f were synthesized by the reaction of 1,3-thiazine-2,6-dithiones 1 or 11a-d, which are 2-methylthio derivatives of thiazinedithiones 1, with diazomethane derivatives. 1,3(6H)-Thiazine-6-spiro-2′-thiiranes 2a-c and 12a-f rearranged into a series of 2-pyrroline-4-thione derivatives 3a-c and methyl 4-thioxopyrroline-1-dithiocarboxylates 13a-f on treatment with a base or gentle heating. 2-Pyrroline-4-thione derivative 13c, upon heating to 140 degrees C for 1 h, reversely rearranged into the thiirane derivative 12c. The structure of the 2-pyrroline-4-thione 13e was determined by single-crystal X-ray analysis.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

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A silver(i)-catalyzed cascade bicyclization strategy for synthesis of 5H-benzo[d]tetrazolo[5,1-b][1,3]thiazines

A simple and efficient protocol for silver(I)-catalyzed tandem reaction of o-alkynylphenyl isothiocyanates with sodium azide has been developed, affording a series of 5H-benzo[d]tetrazolo[5,1-b][1,3]thiazines in moderate to good yields. In this transformation, a [3 + 2] cycloaddition reaction mechanism was involved and two new rings were formed in one pot.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem