Day: July 6, 2021

Electric Literature of 70918-54-6, Chemical Research Letters, May 2021.In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. 70918-54-6, Name is (S)-1,4-Benzodioxane-2-carboxylic acid,introducing its new discovery.

Organic molecules bearing acetoxy moieties are important functionalities in natural products, drugs, and agricultural chemicals. Synthesis of such molecules via transition metal-catalyzed C-O bond formation can be achieved in the presence of a carefully chosen directing group to alleviate the challenges associated with regioselectivity. An alternative approach is to use ubiquitous carboxylic acids as starting materials and perform a decarboxylative coupling. Herein, we report conditions for a photocatalytic decarboxylative C-O bond formation reaction that provides rapid and facile access to the corresponding acetoxylated products. Mechanistic investigations suggest that the reaction operates via oxidation of the carboxylate followed by rapid decarboxylation and oxidation by Cu(OAc)2

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

Synthetic Route of 214894-89-0, Chemical Research Letters, May 2021.In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. 214894-89-0, Name is 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine,introducing its new discovery.

We disclose the first selective, nonpeptidic, small-molecule somatostatin receptor subtype 5 (SST5R) antagonists that were identified by a chemogenomics approach based on the analysis of the homology of amino acids defining the putative consensus drug binding site of SST5R. With this strategy, opioid, histamine, dopamine, and serotonine receptors were identified as the closest neighbors of SST5R. The H1 antagonist astemizole was chosen as a seed structure and subsequently transformed into a SST5 receptor antagonist with nanomolar binding affinity devoid of the original target activity.

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

Reference of 4442-53-9, Research speed reading in 2021. The prevalence of solvent effects has motivated developing quantitative kinetic, and theoretical assessments of solvent structures and their interactions with reaction intermediates. In a document type is Article, and a compound is mentioned, 4442-53-9, Name is 2,3-Dihydrobenzo[b][1,4]dioxine-5-carboxylic acid, introducing its new discovery.

It had been reported that some dioxygenated rings fusing with the quinazoline scaffold could lead to new EGFR inhibitors. Based on this, several kinds of oxygenated alkane quinazoline derivatives were synthetized and evaluated as EGFR inhibitors. Their antiproliferative activities were tested against four cancer cell lines: A431, MCF-7, A549, and B16-F10. Most derivatives could counteract EGF-induced EGFR phosphorylation, and their potency was comparable to the reference compound Erlotinib. The size of the fused dioxygenated ring was crucial for the biological activity and the heptatomic ring derivative 19 showed potent in vitro inhibitory activity in the enzymatic assay as well as in the cellular assay.

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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 Quality Control of 2,3-Dihydrobenzo[b][1,4]dioxin-6-amine, Quality Control of 2,3-Dihydrobenzo[b][1,4]dioxin-6-amine

Human acrosin is a promising target for male contraceptives. A series of novel guanidinophenylpyrazole derivatives were rationally designed by molecular hybridization of the phenylpyrazole and guanidinobenzoate inhibitors. Most of the target compounds showed potent human acrosin inhibitory activities. In particular, compound F3 was a highly active human acrosin inhibitor (IC50 = 1.26 muM) with good selectivity over trypsin. Molecular docking studies revealed that compound F3 formed hydrophobic and hydrogen bonding interactions with the active site of human acrosin. Compound F3 represents a promising lead compound for the development of novel male contraceptives.

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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,Formula: C9H9BrO2, In a article, mentioned the application of 214894-89-0, molecular formula is C9H9BrO2

A series of isochromans were oxidized and brominated by using 1.2 equiv of CuBr2 in CH3CN at reflux to give the corresponding bromo benzaldehydes in moderate yields. A plausible mechanism for this transformation has been suggested.

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 214894-89-0, help many people in the next few years.Formula: C9H9BrO2

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

Synthetic Route of 4442-59-5, Research speed reading in 2021. The prevalence of solvent effects has motivated developing quantitative kinetic, and theoretical assessments of solvent structures and their interactions with reaction intermediates. In a document type is Article, and a compound is mentioned, 4442-59-5, Name is (2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methanamine, introducing its new discovery.

In this study, we performed critical analysis of 13 crystallographic structures of various Ni(ii) complexes of amino acid Schiff bases. The major finding of this work is the significance of a parallel displaced type of aromatic interactions between o-amino-benzophenone and Pro N-benzyl rings. The quality of these aromatic interactions was shown to control the steric environment around the amino acid side-chain, rendering variously substituted Ni(ii) complexes of different thermodynamic stabilities. The discovered structural trend holds true for aliphatic, aromatic and sterically bulky amino acids and can be used for the rational design of new and more efficient chiral ligands for general asymmetric synthesis of tailor-made alpha-amino acids.

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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 Quality Control of 2,3-Dihydrobenzo[b][1,4]dioxin-6-amine, Quality Control of 2,3-Dihydrobenzo[b][1,4]dioxin-6-amine

RhoA is a member of Rho GTPases, a subgroup of the Ras superfamily of small GTP-binding proteins. RhoA, as an important regulator of diverse cellular signaling pathways, plays significant roles in cytoskeletal organization, transcription, and cell-cycle progression. The RhoA/ROCK inhibitors have emerged as a new promising treatment for cardiovascular diseases. However, to date, RhoA inhibitors are macromolecules, and to our knowledge, small molecular-based inhibitors have not been reported. In this study, a series of first-in-class small molecular RhoA inhibitors have been discovered by using structure-based virtual screening in conjunction with chemical synthesis and bioassay. Virtual screening of ?200,000 compounds, followed by SPR-based binding affinity assays resulted in three compounds with binding affinities to RhoA at the micromolar level (compounds 1-3). Compound 1 was selected for further structure modifications in considering binding activity and synthesis ease. Fourty-one new compounds (1, 12a-v, 13a-h, and 14a-j) were designed and synthesized accordingly. It was found that eight (12a, 12j, 14a, 14b, 14d, 14e, 14 g, and 14h) showed high RhoA inhibition activities with IC50 values of 1.24 to 3.00 muM. A pharmacological assay indicated that two compounds (14g and 14 h) demonstrated noticeable vasorelaxation effects against PE-induced contraction in thoracic aorta artery rings and served as good leads for developing more potent cardiovascular agents.

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

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

[Problem] To provide a compound which may be used for the prevention and/or treatment of diseases in which 5-HT2B receptor and 5-HT7 receptor are concerned, particularly for the treatment of irritable bowel syndrome (IBS).[Means for Resolution] It was found that a pyrrole derivative characterized by the possession of a guanidinocarbonyl group or amido group as a substituent group at the 3-position, or a pharmaceutically acceptable salt thereof, has a strong antagonism for both of the 5-HT2B receptor and 5-HT7 receptor. In addition, the compound of the present invention having the antagonistic activity for both of the receptors showed a good pharmacological action in comparison with the case in which an antagonist selective for either one of the receptors was used alone. Based on the above, the compound of the present invention is useful for the prevention and/or treatment of diseases in which 5-HT2B receptor and 5-HT7 receptor are concerned, particularly for the treatment of irritable bowel syndrome (IBS).

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

Reference 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.

The design of a radical relay chaperone to promote selective C-H functionalizations is described. A saccharin-based imine was found to be uniquely suited to effect C-H amination of alcohols via an in situ generated hemiaminal. This radical chaperone facilitates the mild generation of an N-centered radical while also directing its regioselective H atom transfer (HAT) to the beta carbon of an alcohol. Upon beta C-H halogenation, aminocyclization, and reductive cleavage, an NH2 is formally added vicinal to an alcohol. The development, synthetic utility, and chemo-, regio-, and stereoselectivity of this imine chaperone-mediated C-H amination is presented herein.

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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: 22013-33-8,Safety of 2,3-Dihydrobenzo[b][1,4]dioxin-6-amine, In a article, mentioned the application of 22013-33-8, molecular formula is C8H9NO2

Caspase-3 is a cysteinyl protease that mediates apoptotic cell death. Its inhibition may have an important impact on the treatment of several degenerative diseases. Here we report the synthesis of reversible inhibitors via a solid-support palladium-catalyzed amination of 3-bromopyrazinones and the discovery of a pan-caspase reversible inhibitor.

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