Category: 815-17-8

Reference of 815-17-8, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 815-17-8, Name is 3,3-Dimethyl-2-oxobutanoic acid, SMILES is CC(C)(C)C(C(O)=O)=O, belongs to benzisoxazole compound. In a article, author is Cvetovich, RJ, introduce new discover of the category.

An efficient synthesis of a dual PPAR alpha/gamma agonist and the formation of a sterically congested alpha-aryloxyisobutyric acid via a Bargellini reaction

A practical synthesis of benzisoxazole 1 and its conversion to alpha-aryloxyisobutyric acid 2 using 1,1,1-trichloro-2-methyl-2-propanol (chloretone) was developed. Benzisoxazole I was formed in high yields by the action of either methanesulfonyl chloride/base upon intermediate oxime 8 or with thionyl chloride/base, which initially forms cyclic sulfite 10. A highly reactive, short-lived intermediate derived from chloretone was detected by ReacIR and its half-life determined to be similar to 5 min. Reaction conditions for the Bargellini reaction were developed that resulted in a 95% yield of 2 from the reaction of highly hindered phenol 1 with chloretone hemihydrate and powdered NaOH in acetone. Thus highly hindered alpha-aryloxyisobutyric acids can be made in a single step in high yield.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Synthetic Route of 815-17-8, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 815-17-8, Name is 3,3-Dimethyl-2-oxobutanoic acid, SMILES is CC(C)(C)C(C(O)=O)=O, belongs to benzisoxazole compound. In a article, author is Kociolek, Martin G., introduce new discover of the category.

SYNTHESIS OF 1,2-BENZISOXAZOLE 2-OXIDES

A series of 2-hydroxyaryl ketoximes were converted to the corresponding 1,2-benzisoxazole 2-oxides by treatment with iodobenzene diacetate (in acetic acid or methanol) or N-chlorosuccinimide in water. Both methods gave moderate to excellent yields for a variety of substituted oximes under mild conditions within short reaction times. The latter method has the advantages of an aqueous solvent and lack of halogenated organic by-products.

Synthetic Route of 815-17-8, 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 815-17-8 is helpful to your research.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 815-17-8, Name is 3,3-Dimethyl-2-oxobutanoic acid, molecular formula is C6H10O3. In an article, author is Arava, Veera Reddy,once mentioned of 815-17-8, Computed Properties of C6H10O3.

An efficient synthesis of 3-chloromethyl-1,2-benzisoxazoles via modified Boekelheide rearrangement

An efficient and simple method for the preparation of 3-chloromethyl-1,2-benzisoxazoles by modified Boekelheide rearrangement using phosphorous oxychloride in moderate to good yields has been reported. The scope of the process in terms of synthetic utility and versatility is established.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

In an article, author is HE, H, once mentioned the application of 815-17-8, Name: 3,3-Dimethyl-2-oxobutanoic acid, Name is 3,3-Dimethyl-2-oxobutanoic acid, molecular formula is C6H10O3, molecular weight is 130.14, MDL number is MFCD00154352, category is benzisoxazole. Now introduce a scientific discovery about this category.

A PHARMACOLOGICAL, PHARMACOKINETIC AND CLINICAL OVERVIEW OF RISPERIDONE, A NEW ANTIPSYCHOTIC THAT BLOCKS SEROTONIN 5-HT2 AND DOPAMINE D-2 RECEPTORS

Risperidone is a benzisoxazole derivative with antipsychotic activity that is chemically unrelated to other currently available antipsychotic agents, Its neuropharmacological properties, characterized by potent central antagonism of both serotonin 5-HT2 and dopamine D-2 receptors, also differ from those of most other antipsychotic drugs, The pharmacokinetics of risperidone are well understood, having been studied in healthy subjects as well as in psychotic patients. The absolute oral bioavailability of risperidone is nearly 70%, and after oral administration, it is rapidly absorbed with the plasma level reaching a peak at about 1 h. 9-Hydroxyrisperidone, one of the metabolites of risperidone, is equally active with the parent compound and so the clinical activity of a dose of risperidone is due to the combined actions of both moieties, The plasma concentrations of risperidone and its active metabolite remain dose proportional even at doses exceeding the therapeutic range. In clinical trials with chronic schizophrenia patients, risperidone has an overall therapeutic activity comparable with that of haloperidol, but at doses that produce similar improvements in the positive symptoms of schizophrenia, risperidone has a greater effect on the negative symptoms and produces less extrapyramidal side effects than does haloperidol, However, additional controlled clinical studies are needed before the claims that risperidone is therapeutically superior to haloperidol cah be considered to be established firmly, Although risperidone is effective in acute schizophrenia and in non-treatment-resistant schizophrenics, studies adequately comparing risperidone with clozapine in treatment-resistant schizophrenic patients remain to be published. In addition, risperidone has been reported to be of value in patients with schizodepressive disorders, The clinical success of risperidone suggests that the development of compounds with selective affinity for 5-HT2 or other serotonin receptors may result in even further improvements in the pharmacotherapy of psychiatric disorders.

If you are interested in 815-17-8, you can contact me at any time and look forward to more communication. Name: 3,3-Dimethyl-2-oxobutanoic acid.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

815-17-8, Name is 3,3-Dimethyl-2-oxobutanoic acid, molecular formula is C6H10O3, belongs to benzisoxazole compound, is a common compound. In a patnet, author is Kabanda, Mwadham M., once mentioned the new application about 815-17-8, Category: Benzisoxazole.

DFT STUDY OF THE PROTONATION AND DEPROTONATION ENTHALPIES OF BENZOXAZOLE, 1,2-BENZISOXAZOLE AND 2,1-BENZISOXAZOLE AND IMPLICATIONS FOR THE STRUCTURES AND ENERGIES OF THEIR ADDUCTS WITH EXPLICIT WATER MOLECULES

Benzoxazole, 1,2-benzisoxazole and 2,1-benzisoxazole are biologically active molecules with potential applications in drug design. Their interaction with aqueous medium in biological systems may be simulated by considering their interaction with explicit water molecules. Such studies provide information on the structures, energies and type of interactions stabilizing the resulting geometric systems. The objective of the current study was to utilize theoretical approaches to investigate the structures, stabilization energy and binding energy of benzox-azole-water, 1,2-benzisoxazole-water and 2,1-benzisoxazole-water complexes. The calculations were performed utilizing the density functional theory (DFT)/M06-2X/6-311++G(d, p) method and the DFT/omega B97XD method with both the 6-311++G(d, p) and the aug-cc-pVDZ basis sets. The results suggest that the stability of the different clusters depends on interrelated factors including the rings formed by intermolecular hydrogen bonds and the proton affinity (PA) or acidity of the atoms forming the intermolecular hydrogen bonds with the water molecules. A comparison across methods indicates that the results follow similar trends with different methods.

We’ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 815-17-8. The above is the message from the blog manager. Category: Benzisoxazole.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Reference of 815-17-8, Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. The appropriate choice of redox mediator can avoid electrode passivation and overpotential. 815-17-8, Name is 3,3-Dimethyl-2-oxobutanoic acid, SMILES is CC(C)(C)C(C(O)=O)=O, belongs to benzisoxazole compound. In a article, author is Murai, Kenichi, introduce new discover of the category.

Reactivity of the ester group attached isoxazoline, benzisoxazole, and isoxazole: a facial preparation of 3-acyl-substituted these heterocycles

A facile preparation of 3-acyl-substituted isoxazolines, benzisoxazoles, and isoxazoles from the corresponding 3-carboxylate esters is described. The process, involving reaction of the ester derivative of 3-carboxylic acid substituted heterocycles with Grignard or alkynyl lithium reagents, leads to direct generation of the corresponding 3-acyl heterocycle. The presence of alpha-imino ester moieties in the heterocyclic substrates for the reactions is thought to be a key feature governing the nature of these transformations. The synthetic utility of the new methodology is demonstrated by its application in a two-step route for the preparation of novel linked bis-heterocycles. (C) 2012 Elsevier Ltd. All rights reserved.

Reference of 815-17-8, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. I hope my blog about 815-17-8 is helpful to your research.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 815-17-8, Name is 3,3-Dimethyl-2-oxobutanoic acid, SMILES is CC(C)(C)C(C(O)=O)=O, belongs to Benzisoxazole compound. In a document, author is Sakuma, Shogo, introduce the new discover, HPLC of Formula: C6H10O3.

Synthesis of a novel human PPAR delta selective agonist and its stimulatory effect on oligodendrocyte differentiation

We successfully synthesized a novel peroxisome proliferator-activated receptor (PPAR)delta selective agonist, namely, compound 20, with a characteristic benzisoxazole ring. Compound 20 exhibited potent human PPAR delta transactivation activity and high d selectivity. Further, it stimulated differentiation of primary oligodendrocyte precursor cells in vitro, indicating that it may be an effective drug in the treatment of demyelinating disorders such as multiple sclerosis. (C) 2010 Elsevier Ltd. All rights reserved.

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 815-17-8 is helpful to your research. HPLC of Formula: C6H10O3.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Chemistry is an experimental science, Computed Properties of C6H10O3, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 815-17-8, Name is 3,3-Dimethyl-2-oxobutanoic acid, molecular formula is C6H10O3, belongs to Benzisoxazole compound. In a document, author is Acevedo, Orlando.

Role of Water in the Multifaceted Catalytic Antibody 4B2 for Allylic Isomerization and Kemp Elimination Reactions

Specificity toward a single reaction is a well-known characteristic of catalytic antibodies. However, contrary to convention, catalytic antibody 4B2 possesses the ability to efficiently catalyze two unrelated reactions: a Kemp elimination and an allylic isomerization of a beta,gamma-unsaturated ketone. To elucidate how this multifaceted antibody operates, mixed quantum and molecular mechanics calculations coupled to Monte Carlo simulations were carried out. The antibody was determined to derive its adaptability for the mechanistically different reactions through the rearrangement of water molecules in the active site into advantageous geometric orientations for enhanced electrostatic stabilization. In the case of the Kemp elimination, a general base, Glu L34, carried out the proton abstraction from the isoxazole ring of 5-nitro-benzisoxazole while water molecules delivered specific stabilization at the transition state. The role of water was found to be more pronounced in the allylic isomerization because the solvent actively participated in the stepwise mechanism. A rate-limiting abstraction of the a-proton from the beta,gamma-unsaturated ketone via Glu L34 led to the formation of a neutral dienol intermediate, which was rapidly reprotonated at the gamma-position via a solvent hydronium ion. Preferential channeling of H3O+ in the active site ensured a stereoselective proton exchange from the alpha- to the gamma-position, in good agreement with deuterium exchange NMR and HPLC experiments. Ideas for improved water-mediated catalytic antibody designs are presented. In a technical advancement, improvements to a recent polynomial fitting and integration technique utilizing free energy perturbation theory delivered greater accuracy and speed gains.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 815-17-8, in my other articles. Computed Properties of C6H10O3.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. Recommanded Product: 3,3-Dimethyl-2-oxobutanoic acid, 815-17-8, Name is 3,3-Dimethyl-2-oxobutanoic acid, SMILES is CC(C)(C)C(C(O)=O)=O, in an article , author is Lifshitz, Assa, once mentioned of 815-17-8.

Decomposition and isomerization of 1,2-benzisoxazole: Single-pulse shock-tube experiments, quantum chemical and transition-state theory calculations

Isomerization and decomposition of 1,2-benzisoxazole were studied behind reflected shock waves in a pressurized driver, single-pulse shock tube. It isomerizes to o-hydroxybenzonitrile, and no fragmentation is observed up to a temperature where the isomerization is almost complete (similar to 1040 K at 2 ms reaction time). The isomerization experiments in this investigation covered the temperature range 900-1040 K. The lack of fragmentation is in complete contrast to the thermal behavior of isoxazole, where no isomerization was observed and the main decomposition products over the same temperature range were carbon monoxide and acetonitrile. In a series of experiments covering the temperature range 1190-1350 K, a plethora of fragmentation products appear in the post shock samples of 1,2-benzisoxazole. The product distribution is exactly the same regardless of whether the starting material is 1,2-benzisoxazole or o-hydroxybenzonitrile, indicating that over this temperature range the 1,2-benzisoxazole has completely isomerized to o-hydroxybenzonitrile prior to fragmentation. Two potential energy surfaces that lead to the isomerization were evaluated by quantum chemical calculations. One surface with one intermediate and two transition states has a high barrier and does not contribute to the process. The second surface is more complex. It has three intermediates and four transition states, but it has a lower overall barrier and yields the isomerization product o-hydroxybenzonitrile at a much higher rate. The unimolecular isomerization rate constants k(infinity) at a number of temperatures in the range of 900-1040 K were calculated from the potential energy surface using transition-state theory and then expressed in an Arrhenius form. The value obtained is k(first) = 4.15 x 10(14) exp(-51.7 x 10(3)/RT) s(-1), where R is expressed in units of cal/(K mol). The calculated value is somewhat higher than the one obtained from the experimental results. When it is expressed in terms of energy difference it corresponds of ca. 2 kcal/mol.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 815-17-8, you can contact me at any time and look forward to more communication. Recommanded Product: 3,3-Dimethyl-2-oxobutanoic acid.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 815-17-8, Name is 3,3-Dimethyl-2-oxobutanoic acid, formurla is C6H10O3. In a document, author is GARCIA, G, introducing its new discovery. Product Details of 815-17-8.

RISPERIDONE – AN ATYPICAL AGENT APPROVED AS 1ST-LINE THERAPY FOR MANAGING MANIFESTATIONS OF PSYCHOTIC DISORDERS

Risperidone, a benzisoxazole derivative, was recently approved by the FDA for the management of psychotic disorders. It joins clozapine as the second antipsychotic agent to become available that possesses both dopaminergic and serotoninergic blocking activities. Risperidone has been shown to improve the positive and negative symptoms of schizophrenia in clinical trials. The drug can be used as a first-line agent and trials are currently being conducted to establish its benefit in treatment-refractory patients. Risperidone is associated with a low incidence of extrapyramidal symptoms, has not been associated with tardive dyskinesia, and does not require hematological monitoring. The availability of risperidone represents progress not only in the pharmacotherapy of schizophrenia, but also in the understanding of the pathophysiology of this disorder.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics