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49 results about "Aromatic hydroxylation" patented technology

Selective hydroxylation of aromatic compounds is among the most challenging chemical reactions in synthetic chemistry and has gained steadily increasing attention during recent years, particularly because of the use of hydroxylated aromatics as precursors for pharmaceuticals.

Alcohol-removal-free preparation method for rapidly-synthesized high-framework-titanium-content titanium silicalite molecular sieve

The invention discloses a preparation method and application of a rapidly-synthesized high-framework-titanium-content titanium silicalite molecular sieve. An organic compound of a non-surfactant is added to a synthetic glue solution, so that generation of extra framework titanium is restrained, and growth of a molecular sieve structure is promoted. A certain quantity of an organic compound of one or more non-surfactants is added to the TS-1 synthetic glue solution, polymerization of silicon-titanium species in the synthetic glue solution is affected through the hydrogen-bond interaction, agglomeration of titanium species is restrained accordingly, the speed at which titanium enters a molecular sieve framework is increased, and formation of the molecular sieve framework structure is promoted. Compared with a conventional method for hydro-thermal synthesis of the TS-1 molecular sieve, no alcohol removal is needed in the process of preparing the TS-1 synthetic glue solution through the method, the synthesis process is simplified, and industrial production is convenient. The content of framework titanium in the TS-1 prepared through the method is high, catalytic activity and selectivity are obviously improved, and the method is mainly shown in reactions such as olefin epoxidation, aromatic hydroxylation, hydroxylation of phenol, ammonia ketone oximation and alkane oxidation.
Owner:DALIAN UNIV OF TECH

Processes for preparing diaryl and/or alkylaryl carbonates from dialkyl carbonates

Processes comprising: reacting a dialkyl carbonate and an aromatic hydroxy compound in the presence of a transesterification catalyst in a first reaction column, the first reaction column comprising a top section, a bottom section, a rectifying section in an upper portion of the column and a reaction zone below the rectifying section; feeding a bottom product from the first reaction column to a further reaction column; the bottom product comprising a diaryl carbonate, an alkylaryl carbonate, or both, and residual unreacted dialkyl carbonate and aromatic hydroxy compound; the further reaction column comprising a top section, a rectifying section in an upper portion of the column and a reaction zone below the rectifying section; and reacting the residual reacted dialkyl carbonate and aromatic hydroxy compound in the further reaction column; feeding a process stream to a distillation column, the process stream comprising a mixture of unreacted dialkyl carbonate and one or more reaction-product alcohols drawn from the first reaction column, the further reaction column, or both, such that the unreacted dialkyl carbonate is separated from the one or more reaction-product alcohols; and recycling the separated, unreacted dialkyl carbonate to the first reaction column; wherein the further reaction column comprises one or more condensers, and heat of condensation from the one or more condensers is fed back into the process.
Owner:COVESTRO DEUTSCHLAND AG

Method for predicting activation energy using an atomic fingerprint descriptor or an atomic descriptor

The present invention provides a method for constructing a database of atomic fingerprint descriptors. The invention provides a method for predicting activation energy using an atomic fingerprint descriptor and an atomic descriptor, the method comprising the steps of: (i) calculating the atomic fingerprint descriptor of a substrate; (ii) comparing the calculated atomic fingerprint descriptor with the constructed atomic fingerprint descriptor database to select an atomic position where cytochrome P450-mediated metabolism occurs; and (iii) predicting activation energy for the selected atomic position using an atomic descriptor. Also, the invention provides a method of predicting the activation energy of CYP450-mediated phase I metabolism using effective atomic descriptors. Specifically, the invention provides a method of predicting the activation energy either for cytochrome P450-mediated hydrogen abstraction or for tetrahedral intermediate formation in cytochrome P450-aromatic hydroxylation using equations including effective atomic descriptors. The method of the invention can rapidly predict activation energy for phase I metabolites at a practical level without having to perform a docking experiment between any additional CYP450 and the substrate, or a quantum mechanical calculation, thereby making it easier to develop new drugs using a computer. Also, the present invention may propose a strategy for increasing the bioavailability of drugs through the avoidance of metabolites based on the possibility of drug metabolism. Furthermore, the method of the present invention proposes new empirical approaches which can also be easily applied to activation energies for various chemical reactions, and makes it possible to explain physical and chemical factors that determine activation energy. In addition, through the prediction of activation energy according to the present invention, it is possible to predict i) metabolic products, ii) the relative rate of metabolism, iii) metabolic regioselectivity, iv) metabolic inhibition, v) drug-drug interactions, and vi) the toxicity of a metabolite.
Owner:BIOINFORMATICS & MOLECULAR DESIGN RES CENT

Novel hybrid binder with natural compounds for low emission products

Resin compositions (A) and (B) are described: wherein resin composition (A) comprises a naturally occurring component or derivative thereof comprising protein, an aromatic hydroxyl compound-aldehyde resin and an amino resin, wherein the naturally occurring component or derivative thereof is chemically bound to the aromatic hydroxyl compound-aldehyde resin to form an ncPF resin and the naturally occurring component or derivative thereof is optionally chemically bound to the amino resin; wherein resin composition (B) comprises a condensation product of a naturally occurring component or derivative thereof, an aromatic hydroxyl compound-aldehyde resin and at least 20 wt % of urea based on the total mass of the resin composition, wherein at least 50 wt % of the naturally occurring component or derivative thereof is chemically bound directly or indirectly to the aromatic hydroxyl compound-aldehyde resin (ncPF), and wherein the naturally occurring component or derivative thereof comprises protein. The resin compositions can be used as a binder for lignocellulosic or cellulosic materials which have an excellent combination of low formaldehyde emissions and high strength. Also described are low formaldehyde emissions wood products comprising unique binder combinations.
Owner:DYNEA
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