Day: June 23, 2021

Research speed reading in 2021. The prevalence of solvent effects in heterogeneous catalysis in condensed media has motivated developing quantitative kinetic. HPLC of Formula: C9H9BrO2, In a article, mentioned the application of 214894-89-0, Name is 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine, molecular formula is C9H9BrO2

A compound of formula I, including optical isomers thereof, STR1 wherein X represents –SO 2 NH– or –NHSO 2 –,p, q and r independently represent 2 or 3,Y represents thienyl optionally substituted by alkyl or halogen, or phenylthio- or phenyl optionally substituted by alkyl or halogen, andeach R independently represents H or alkyl,and pharmaceutically acceptable salts, esters and amides thereof.

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Reference：
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

New discoveries in chemical research and development in 2021. We’ll be discussing some of the latest developments in chemical about CAS: 214894-89-0,Quality Control of 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine, In a article, mentioned the application of 214894-89-0, molecular formula is C9H9BrO2

Novel L-valinate amide benzoxaboroles and analogues were designed and synthesized for a structure-activity-relationship (SAR) investigation to optimize the growth inhibitory activity against Trypanosoma congolense (T. congolense) and Trypanosoma vivax (T. vivax) parasites. The study identified 4-fluorobenzyl (1-hydroxy-7-methyl-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-L-valinate (5, AN11736), which showed IC50 values of 0.15 nM against T. congolense and 1.3 nM against T. vivax, and demonstrated 100% efficacy with a single dose of 10 mg/kg against both T. congolense and T. vivax in mouse models of infection (IP dosing) and in the target animal, cattle, dosed intramuscularly. AN11736 has been advanced to early development studies.

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Reference：
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

Application of 70918-54-6, Chemical Research Letters, May 2021. The appropriate choice of redox mediator can avoid electrode passivation and overpotential, which strongly inhibit the efficient activation of substrates in electrolysis. 70918-54-6, Name is (S)-1,4-Benzodioxane-2-carboxylic acid,introducing its new discovery.

Early studies in these laboratories of peptidomimetic structures containing a basic P1 moiety led to the highly potent and selective thrombin inhibitors 2 (K(i) = 5.0 nM) and 3 (K(i) = 0.1 nM). However, neither attains significant blood levels upon oral administration to rats and dogs. With the aim of improving pharmacokinetic properties via a more diverse database, we devised a resin-based route for the synthesis of analogues of these structures in which the P3 residue is replaced with a range of lipophilic carboxylic amides. Assembly proceeds from the common P2-P1 template 7 linked via an acid-labile carbamate to a polystyrene support. Application of the methodology in a repetitive fashion afforded several interesting analogues out of a collection of some 200 compounds. Among the most potent of the group, N-(9-hydroxy-9-fluorenecarboxy)-prolyl trans-4- aminocyclohexylmethyl amide (L-372,460 8, K(i) = 1.5 nM), in addition to being fully efficacious in a rat model of arterial thrombosis at an infusion rate of 10 mug/kg/min, exhibits oral bioavailability of 74% in dogs, and oral bioavailability of 39% in monkeys with a serum half-life of just under 4 h. On the basis of its favorable biological properties, inhibitor 8 has been subject to further evaluation as a possible treatment for thrombogenic disorders.

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Reference：
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

Synthetic Route of 214894-89-0, Chemical Research Letters, May 2021. The appropriate choice of redox mediator can avoid electrode passivation and overpotential, which strongly inhibit the efficient activation of substrates in electrolysis. 214894-89-0, Name is 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine,introducing its new discovery.

ortho-Terphenyls are of high interest for medicinal chemistry and materials science, but they are difficult to access. Herein, we demonstrate a straightforward and sustainable synthesis of highly functionalized ortho-terphenyls via joining an organocatalyzed two-step domino reaction (Knoevenagel/vinylogous Michael) with a DABCO/CuBr2 co-catalyzed three-step domino reaction (cyclization/tautomerization/aromatization) in a one-pot process. Overcoming necessity to isolate intermediate products leads to a reduction of energy, costs and waste for a broad scope of reactions. DFT calculations have been performed to investigate the thermodynamics of this one-pot process towards ortho-terphenyls and to study the reaction profile of the vinylogous Michael reaction under inclusion of solvent effects. Role of London dispersion forces in this transformation has been elucidated. It is shown that reaction kinetics and thermodynamics are slightly influenced by dispersion interactions. Furthermore, the addition of dispersion energy donors leads to small changes of reaction energies in some cases.

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Reference：
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

Synthetic Route of 4442-53-9, New Advances in Chemical Research, May 2021. The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. In a document type is Patent, and a compound is mentioned, 4442-53-9, Name is 2,3-Dihydrobenzo[b][1,4]dioxine-5-carboxylic acid, introducing its new discovery.

The present invention includes compounds having structural formula (I), or pharmaceutically acceptable salts, solvate, and/or ester thereof. These compounds are useful as sweet flavor modifiers. The present invention also includes compositions comprising the present compounds and methods of enhancing the sweet taste of ingestible compositions. Furthermore, the present invention provides methods for preparing the compounds.

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Reference：
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

New research progress on 31127-39-6 in 2021. In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. Recommanded Product: 31127-39-6, In a article, mentioned the application of 31127-39-6, Name is 2,3-Dihydrobenzo[b][1,4]dioxine-6-carbaldehyde oxime, molecular formula is C9H9NO3

The invention provides a benzo oxygen-containing fat ring substituted methylamine class compounds and their use, relates to surfactant-and oxygen-containing fat ring substituted methylamine class I shown compound substituted compound or its pharmaceutically acceptable salt, and thereof in the preparation of Staphylococcus aureus Golden melanin synthesis inhibitor in the use of antibacterial drugs. (by machine translation)

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Reference：
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

Research speed reading in 2021.The prevalence of solvent effects has motivated developing quantitative kinetic, spectroscopic, and theoretical assessments of solvent structures and their interactions with reaction intermediates and transition states. Safety of 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)ethanone, In a article, mentioned the application of 2879-20-1, Name is 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)ethanone, molecular formula is C10H10O3

A copper-catalyzed asymmetric oxidative cross-coupling reaction of 2-naphthols with aryl methyl ketones has been developed. This transformation provides an efficient route to various functionalized naphtho[2,1-b]furan-1(2H)-ones in an enantiomerically enriched manner with molecular oxygen in air as the oxidant (52-89% yields, up to 87% ee). The reaction leads to the formation of a new quaternary carbon center within 3(2H)-furanones.

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Reference：
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

Electric Literature of 22013-33-8, New Advances in Chemical Research in 2021. Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. 22013-33-8, Name is 2,3-Dihydrobenzo[b][1,4]dioxin-6-amine. In a Article, once mentioned of 22013-33-8.

Protein tyrosine phosphatases (PTPases) regulate intracellular signal transduction pathways by controlling the level of tyrosine phosphorylation in cells. These enzymes play an important role in a variety of diseases including type II diabetes and infection by the bacterium Yersinia pestis, which is the causative agent of bubonic plague. This report describes the synthesis, using parallel solution-phase methods, of a library of 104 potential inhibitors of PTPases. The library members are based on the bis(aryl alpha-ketocarboxylic acid) motif that incorporates a carboxylic acid on the central benzene linker. This carboxylic acid was coupled with a variety of different aromatic amines through an amide linkage. The aromatic component of the resulting amides is designed to make contacts with residues that surround the active site of the PTPase. The library was screened against the Yersinia PTPase and PTP1B. Based upon the screening results, four members of the library were selected for further study. These four compounds were evaluated against the Yersinia PTPase, PTP1B, TCPTP, CD45, and LAR. Compound 14 has an IC50 value of 590nM against PTP1B and is a reversible competitive inhibitor. This affinity represents a greater than 120-fold increase in potency over compound 2, the parent structure upon which the library was based. A second inhibitor, compound 12, has an IC50 value of 240nM against the Yersinia PTPase. In general, the selectivity of the inhibitors for PTP1B was good compared to LAR, but modest when compared to TCPTP and CD45.

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Reference：
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

Chemical Research Letters, May 2021. The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. Which mentioned a new discovery about COA of Formula: C10H10O3, COA of Formula: C10H10O3

In this study, we report the synthesis of a series of chalcone?benzoxaborole hybrid molecules and the evaluation of their anticancer activity. Their anticancer potency and toxicity were tested on three human cancer cell lines and two normal cell lines. The 4-fluoro compound 15 was found to be the most potent compound with an IC50value of 1.4 muM on SKOV3 cells. The 4-iodo compound 18 and 3-methyloxy-4-amino compound 47 showed good potency on SKOV3 cells while exhibiting low toxicity on normal cells. This work extended the application of benzoxaboroles to the field of anticancer research.

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Reference：
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. In a patent, 214894-89-0, name is 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine, introducing its new discovery. Recommanded Product: 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine

The 7-coordinate complex [Fe(qpy)(MeCN)2](ClO4) 2 (1, qpy = 2,2?:6?,2?:6?, 2???:6???,2????- quinquepyridine) is a highly active nonheme iron catalyst for intra- and intermolecular amination of C(sp3)-H bonds. This complex effectively catalyzes the amination of limiting amounts of not only benzylic and allylic C(sp3)-H bonds of hydrocarbons but also the C(sp3)-H bonds of cyclic alkanes and cycloalkane/linear alkane moieties in sulfamate esters, such as those derived from menthane and steroids cholane and androstane, using PhI=NR or “PhI(OAc)2 + H2NR” [R = Ts (p-toluenesulfonyl), Ns (p-nitrobenzenesulfonyl)] as nitrogen source, with the amination products isolated in up to 93% yield. Iron imide/nitrene intermediates [Fe(qpy)(NR)(X)]n+ (CX, X = NR, solvent, or anion) are proposed in these amination reactions on the basis of experimental studies including ESI-MS analysis, crossover experiments, Hammett plots, and correlation with C-H bond dissociation energies and with support by DFT calculations. Species consistent with the formulations of [Fe(qpy)(NTs)2] 2+ (CNTs) and [Fe(qpy)(NTs)]2+ (C) were detected by high-resolution ESI-MS analysis of the reaction mixture of 1 with PhI=NTs (4 equiv). DFT calculations revealed that the reaction barriers for H-atom abstraction of cyclohexane by the ground state of 7-coordinate C NTs and ground state of C are 15.3 and 14.2 kcal/mol, respectively, in line with the observed high activity of 1 in catalyzing the C-H amination of alkanes under mild conditions.

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Reference：
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem