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Synthesis and fungicidal activity of 3,4-dichloroisothiazole based strobilurins as potent fungicide candidates

A series of 3,4-dichloroisothiazole based novel strobilurin analogs were designed and synthesized, and their structures were elucidated by NMR and HRMS, and the typical crystal structure was determined by X-ray diffraction for validation. Results from different biological assays suggested that most target compounds displayed very good fungicidal activity against one or multiple plant pathogens in vitro and in vivo. Among them, compounds 6d, 6g and 8d showed a broad spectrum of fungicidal activity. Further field experiments indicated that compound 8d displayed better efficacy against Sphaerotheca fuliginea than commercial standards azoxystrobin and trifloxystrobin, and better efficacy against Pseudoperonospora cubensis than trifloxystrobin. Overall, a new fungicidal candidate for plant disease management was discovered in this study.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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What are the pKa values of C-H bonds in aromatic heterocyclic compounds in DMSO?

A first-principle method has been successfully developed for the prediction of pKa values of aromatic heterocyclic compounds in DMSO solution with a precision of 1.1 pKa units. Comparison of theoretical results and experimental data (where available) also shows excellent consistency. Armed with this useful approach, the pKa values for a series of aromatic heterocycles were calculated in DMSO. Moreover, a discussion of the relationships between hydrogen acidities and molecular structures is conducted for the first time (determinants of C-H acidities, substituent effects, and some practical use of dehydrometalation). These statistics could be useful for synthetic chemists to design proper routes for introduction of aromatic heterocyclic moiety, especially when dehydrometalation reactions are used.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Characterisation of free and glycosidically bound aroma compounds of la Mancha Verdejo white wines

The aroma of Verdejo La Mancha white wines was studied by instrumental and sensory analysis across five consecutive vintages to determine their typicity and quality. Free and glycosidically-bound aroma compounds were isolated by solid phase extraction (SPE) to later be analysed using gas chromatography-mass spectrometry (GC/MS). Seventy-four (74) free aroma compounds and thirty-six (36) bound aroma compounds were identified and quantified in La Mancha Verdejo wines oven this five year period. Based on the result, Verdejo white wines presents a complex chemical profile with a wealth of aromas in its aromatic composition. The sensory profile of Verdejo wines was evaluated by experienced wine-tasters and was characterised by fresh, citric, green apple, fruity and tropical fruit aroma descriptors. This study shows the first complete aromatic characterisation of La Mancha Verdejo white wines, also the data suggest that these wines present a great aromatic potential.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES

This invention relates to compounds of the formula 1 wherein R1, R2, R7, R8, R9, U, V, Z, A, W, X, M, E, L, T and D are defined as in the specification, pharmaceutical compositions containing them and their use in the treatment of central nervous system and other disorders.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME

The present disclosure provides, in part, cyclic sulfamide compounds, and pharmaceutical compositions thereof, useful as modulators of Hepatitis B (HBV) core protein, and methods of treating Hepatitis B (HBV) infection.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Reference of 18480-53-0, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.18480-53-0, Name is 3,4-Dichloroisothiazole-5-carboxylic acid, molecular formula is C4HCl2NO2S. In a article£¬once mentioned of 18480-53-0

A amide compound and its preparation and use (by machine translation)

The invention provides an amide compound and its preparation and use, the amine compound has the following formula I states the acid radical structure shown, it is a new kind of fungicide, can apply to the agriculture, forestry on insect pest of disease, has good control effect, especially for soybean rust, cucumber downy mildew and cucumber powdery mildew has very good control effect, in the amide compound concentration is 100 ppm when, for soybean rust preventive effect in 80% or more; in the amide compound concentration is 400 ppm when the, of cucumber downy mildew control effect in 80% or more, of cucumber powdery mildew control effect in 90% or more. And its preparation method is simple and efficient, easy to large-scale production, the application prospect is extensive. (by machine translation)

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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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.In a document type is Article, the author is Raubenheimer, Helgard G. and a compound is mentioned, SDS of cas: 288-16-4, Isothiazole, introducing its new discovery. SDS of cas: 288-16-4

Preparation and Characterization of the First Isothiazolyl and Isothiazolinylidene Complexes of Gold(I)

Isothiazolyl complexes have been synthesized by the addition of isothiazol-5-yllithium to gold(I) chloride or tetrahydrothiophene(pentafluorophenyl)gold complexes.Protonation or alkylation of these isothiazolyl complexes yielded the corresponding isothiazolinylidene complexes.The mono(isothiazolyl)-aurate and mono(isothiazolinylidene) complexes undergo homoleptic rearrangement.The molecular structure of the mono(isothiazolyl) complex shows a gold-carbon bond length of 2.032(7) Angstroem.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

Extended knowledge of 3,4-Dichloroisothiazole-5-carboxylic acid

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Use of Sulphur-Containing Heteroaromatic Acid Analogues as Bactericides

The present invention relates to the use of compounds according to formula (I) for controlling bacterial harmful organisms in useful plants. Moreover, the present invention relates to a method for controlling bacterial harmful organisms in useful plants by treating them with compounds according to formula (I).

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.Quality Control of Isothiazole, Name is Isothiazole, molecular formula is C3H3NS, Quality Control of Isothiazole. In a Article, authors is An, Yi£¬once mentioned of Quality Control of Isothiazole

Stacking Interactions between 9-Methyladenine and Heterocycles Commonly Found in Pharmaceuticals

Complexes of 9-methyladenine with 46 heterocycles commonly found in drugs were located using dispersion-corrected density functional theory, providing a representative set of 408 unique stacked dimers. The predicted binding enthalpies for each heterocycle span a broad range, highlighting the strong dependence of heterocycle stacking interactions on the relative orientation of the interacting rings. Overall, the presence of NH and carbonyl groups lead to the strongest stacking interactions with 9-methyadenine, and the strength of -stacking interactions is sensitive to the distribution of heteroatoms within the ring as well as the specific tautomer considered. Although molecular dipole moments provide a sound predictor of the strengths and orientations of the 28 monocyclic heterocycles considered, dipole moments for the larger fused heterocycles show very little correlation with the predicted binding enthalpies.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Application of 288-16-4, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.288-16-4, Name is Isothiazole, molecular formula is C3H3NS. In a article£¬once mentioned of 288-16-4

Five-Membered Ring Systems: With N and S Atom

This review chapter describes the syntheses and reactions of these 5-membered heterocyclic ring systems containing nitrogen and sulfur (reported during 2018). The importance of these p-rich heterocycles in medicinal chemistry and natural products is also covered.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com