Month: November 2022

Gould, J. P. published the artcileKinetics of the heterogeneous ozonation of nitrated phenols, Formula: C6H4INO3, the main research area is nitrophenol ozonization water wastewater.

The kinetics of the heterogeneous ozonization of PhOH and 27 nitrophenols representing a wide array of functional groups was studied. In the systems examined, the process was of zero order with respect to phenolic concentration, which indicates mass transfer as the prime control on the process. Anal. of the 1st-order rate constants permitted computation of overall mass transfer coefficients for all compounds The coefficients were 60% lower than the kLa (where kL = liquid mass transfer coefficient and a = sp. interfacial surface area) values measured by others in water and showed very little variation regardless of chem. structure of the phenol. Efforts at development of a QSAR model for the kinetics were fruitless.

Water Science and Technology published new progress about Ozonization kinetics. 21784-73-6 belongs to class iodides-buliding-blocks, name is 4-Iodo-2-nitrophenol, and the molecular formula is C6H4INO3, Formula: C6H4INO3.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Luccarelli, James published the artcileUnpicking the determinants of amide NH···O=C hydrogen bond strength with diphenylacetylene molecular balances, Related Products of iodides-buliding-blocks, the main research area is diphenylacetylene preparation hydrogen bond strength conformation substituent effect.

Hydrogen bonding plays an essential part in dictating the properties of natural and synthetic materials. Secondary amides are well suited to cross-strand interactions through the display of both hydrogen bond donors and acceptors and are prevalent in polymers such as proteins, nylon and Kevlar. In attempting to measure hydrogen bond strength and to delineate the stereoelectronic components of the interaction, context frequently becomes vitally important. This makes mol. balances – systems in which direct comparison of two groups is possible – an appealing bottom up approach that allows the complexity of larger systems to be stripped away. We have previously reported a family of single mol. conformational switches that are responsive to diverse stimuli including Bronsted and Lewis acids, anions and redox gradients. In this work we assess the ability of the scaffold, based on a 2,6-disubstituted diphenylacetylene, to measure accurately the difference in hydrogen bond strength between variously functionalized amides. In all of the examples investigated hydrogen bond strength closely correlate to measures of Bronsted acidity suggesting that the scaffold is well-suited as a platform for the accurate determination of bond strength in variously substituted systems.

Organic & Biomolecular Chemistry published new progress about Bond angle, dihedral. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Related Products of iodides-buliding-blocks.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Foley, Daniel J. published the artcilePhenotyping Reveals Targets of a Pseudo-Natural-Product Autophagy Inhibitor, Formula: C5H4IN3O2, the main research area is indocinchona alkaloid synthesis palladium catalyzed annulation autophagy inhibitor; alkaloids; autophagy; chemical biology; inhibitors; natural products.

Pseudo-natural-product (NP) design combines natural product fragments to provide unprecedented NP-inspired compounds not accessible by biosynthesis, but endowed with biol. relevance. Since the bioactivity of pseudo-NPs may be unprecedented or unexpected, they are best evaluated in target agnostic cell-based assays monitoring entire cellular programs or complex phenotypes. Here, the Cinchona alkaloid scaffold was merged with the indole ring system to synthesize indocinchona alkaloids by Pd-catalyzed annulation. Exploration of indocinchona alkaloid bioactivities in phenotypic assays revealed a novel class of azaindole-containing autophagy inhibitors, the azaquindoles. Subsequent characterization of the most potent compound, azaquindole-1 (I), in the morphol. cell painting assay, guided target identification efforts. In contrast to the parent Cinchona alkaloids, azaquindoles selectively inhibit starvation- and rapamycin-induced autophagy by targeting the lipid kinase VPS34.

Angewandte Chemie, International Edition published new progress about Autophagy inhibitors. 25391-56-4 belongs to class iodides-buliding-blocks, name is 3-Iodo-5-nitropyridin-2-amine, and the molecular formula is C5H4IN3O2, Formula: C5H4IN3O2.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Kurasaki, Haruaki published the artcileLpxC Inhibitors: Design, Synthesis, and Biological Evaluation of Oxazolidinones as Gram-negative Antibacterial Agents, Synthetic Route of 105752-04-3, the main research area is oxazolidinone derivative preparation LpxC inhibitor antibacterial; Antibacterial; Gram-negative bacteria; LpxC; oxazolidinone; scaffold hopping.

Herein we report a scaffold-hopping approach to identify a new scaffold with a zinc binding headgroup. Structural information was used to give novel oxazolidinone-based LpxC inhibitors. In particular, the most potent compound, 23j, showed a low efflux ratio, nanomolar potencies against E. coli LpxC enzyme, and excellent antibacterial activity against E. coli and K. pneumoniae. Computational docking was used to predict the interaction between 23j and E. coli LpxC, suggesting that the interactions with C207 and C63 contribute to the strong activity. These results provide new insights into the design of next-generation LpxC inhibitors.

ACS Medicinal Chemistry Letters published new progress about Antibacterial agents. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Synthetic Route of 105752-04-3.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Saikia, L. published the artcileRegiospecific Oxyhalogenation of Aromatics Over SBA-15-Supported Nanoparticle Group IV-VI Metal Oxides, Recommanded Product: 4-Iodo-2-nitrophenol, the main research area is aromatic compound oxyhalogenation metal oxide catalyst silica support.

TiOx, VOx, MoOx and WOx supported on SBA-15 exhibit efficient catalytic activity for oxyhalogenation of aromatics with the H2O2-halide ion system. Unlike the hitherto known solid catalysts, these reusable catalysts yield the para-halogenated product with 100% selectivity at 298 K and moderate acidic pH (3-5). The catalytic activity was enhanced by five orders of magnitude when supported on SBA-15.

Catalysis Letters published new progress about Bromination catalysts. 21784-73-6 belongs to class iodides-buliding-blocks, name is 4-Iodo-2-nitrophenol, and the molecular formula is C6H4INO3, Recommanded Product: 4-Iodo-2-nitrophenol.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Davis, Tyler A. published the artcileChiral proton catalysis of secondary nitroalkane additions to azomethine: synthesis of a potent GlyT1 inhibitor, Recommanded Product: Benzyl 3-iodoazetidine-1-carboxylate, the main research area is enantioselective synthesis GlyT1 inhibitor aza Henry nitroazetidine amidine organocatalyst.

The first enantioselective synthesis of a potent GlyT1 inhibitor is described. A 3-nitroazetidine donor is used in an enantioselective aza-Henry reaction catalyzed by a bis(amidine)-triflic acid salt organocatalyst, delivering the key intermediate with 92% ee. This adduct is reductively denitrated and converted to the target through a short sequence, thereby allowing assignment of the absolute configuration of the more potent enantiomer.

Chemical Communications (Cambridge, United Kingdom) published new progress about Absolute configuration. 939759-26-9 belongs to class iodides-buliding-blocks, name is Benzyl 3-iodoazetidine-1-carboxylate, and the molecular formula is C11H12INO2, Recommanded Product: Benzyl 3-iodoazetidine-1-carboxylate.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Rocca, P. published the artcileFirst metalation of aryl iodides: directed ortho-lithiation of iodopyridines, halogen-dance, and application to synthesis, Category: iodides-buliding-blocks, the main research area is metalation iodopyridine regiochem rearrangement; ortho lithiation iodopyridine regiochem rearrangement; aryl iodide metalation regiochem rearrangement; perlolidine preparation; diazaphenanthrene preparation; carboline preparation.

Metalation of iodopyridines was successfully achieved by LDA at low temperature In many cases, lithiation is ortho directed by the iodo group which subsequently ortho-migrates very fast to give stabilized iodolithiopyridines. This procedure was applied to 2-fluoro- and 2-chloro-3-iodopyridines, 3-fluoro-4-iodopyridine, and 2-chloro-3-fluoro-4-iodopyridine. The resulting lithio intermediates were obtained in high yields before being reacted with electrophiles leading to various polysubstituted pyridines. Some of these iodopyridines were used as key mols. for the preparation of fused polyaromatic alkaloids. Thus, perlolidine (I), δ-carbolines, and 2,10-diazaphenanthrenes were readily prepared in few steps taking advantage of the iodo reactivity for heteroring cross-coupling. Coupling of [2-(pivaloylamino)phenyl]boronic acid with 2-fluoro-4-iodo-3-pyridinecarboxaldehyde gave I.

Journal of Organic Chemistry published new progress about Cross-coupling reaction. 153034-78-7 belongs to class iodides-buliding-blocks, name is 2-Fluoro-3-iodo-5-methylpyridine, and the molecular formula is C6H5FIN, Category: iodides-buliding-blocks.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Bauer, Gerald published the artcileCross-Coupling of Nonactivated Primary and Secondary Alkyl Halides with Aryl Grignard Reagents Catalyzed by Chiral Iron Pincer Complexes, SDS of cas: 939759-26-9, the main research area is cross coupling primary secondary alkyl halide aryl Grignard reagent; iron bisoxazolinylphenylamido pincer complex catalyzed coupling nonactivated alkyl halide; chiral iron pincer complex catalyzed coupling enantioselectivity.

Iron(III) bisoxazolinylphenylamido (bopa) pincer complexes are efficient precatalysts for the cross-coupling of nonactivated primary and secondary alkyl halides with Ph Grignard reagents. The reactions proceed at room temperature in moderate to excellent yields. A variety of functional groups can be tolerated. The enantioselectivity of the coupling of secondary alkyl halides is low.

Synthesis published new progress about Cross-coupling reaction. 939759-26-9 belongs to class iodides-buliding-blocks, name is Benzyl 3-iodoazetidine-1-carboxylate, and the molecular formula is C11H12INO2, SDS of cas: 939759-26-9.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Deng, Boxin published the artcileImidazolium-based organoiridium-functionalized periodic mesoporous organosilica boosts enantioselective reduction of α-cyanoacetophenones, α-nitroacetophenones, and β-ketoesters, HPLC of Formula: 63131-30-6, the main research area is imidazolium organoiridium enantioselective reduction.

An imidazolium-based, organoiridium-functionalized periodic mesoporous organosilica is developed through complexation of chiral pentafluorophenylsulfonyl-1,2-diphenylethylenediamine and organoiridium-functionalized periodic mesoporous organosilica. Structural analyses and characterizations of catalyst reveal well-defined single-site iridium active species within its organosilicate network. Electron microscopy confirms a highly ordered dimensional-hexagonal mesostructure. This bifunctional heterogeneous catalyst displays excellent catalytic performance in the enantioselective reduction of α-cyano and α-nitroacetophenones. As expected, incorporation of imidazolium-functionality within hydrophobic periodic mesoporous organosilica promotes catalytic activity and enantioselectivity. In addition, this heterogeneous catalyst can be recovered and reused for at least eight times without loss of its catalytic activity. Furthermore, the approach described here can also construct another organoiridium-functionalized periodic mesoporous organosilica through postcoordination of chiral methylsulfonyl-1,2-diphenylethylenediamine, which provides excellent catalytic activity and enantioselectivity in the enantioselective reduction of β-ketoesters. The method presented here offers a potential way for immobilizing various chiral ligands to construct chiral organometal-functionalized periodic mesoporous organosilicas.

Journal of Catalysis published new progress about Reduction, stereoselective. 63131-30-6 belongs to class iodides-buliding-blocks, name is Ethyl 3-(4-iodophenyl)-3-oxopropanoate, and the molecular formula is C11H11IO3, HPLC of Formula: 63131-30-6.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Li, Yanyun published the artcileIron Catalyzed Asymmetric Hydrogenation of Ketones, Computed Properties of 63131-30-6, the main research area is ketone keto ester stereoselective hydrogenation iron chiral macrocyclic ligand; alc stereoselective preparation iron catalyzed.

Chiral mols., such as alcs., are vital for the manufacturing of fine chems., pharmaceuticals, agrochems., fragrances, and novel materials. These mols. need to be produced in high yield and high optical purity and preferentially catalytically. Among all the asym. catalytic reactions, asym. hydrogenation with H2 (AH) is the most widely used in the industry. With few exceptions, these AH processes use catalysts based on the three critical metals, rhodium, ruthenium, and iridium. Herein we describe a simple, industrially viable iron catalyst that allows for the AH of ketones, a process currently dominated by ruthenium and rhodium catalysts. By combining a chiral, 22-membered macrocyclic ligand with the cheap, readily available Fe3(CO)12, a wide variety of ketones have been hydrogenated under 50 bar H2 at 45-65°, affording highly valuable chiral alcs. with enantioselectivities approaching or surpassing those obtained with the noble metal catalysts. In contrast to AH by most noble metal catalysts, the iron-catalyzed hydrogenation appears to be heterogeneous.

Journal of the American Chemical Society published new progress about Enantioselective synthesis. 63131-30-6 belongs to class iodides-buliding-blocks, name is Ethyl 3-(4-iodophenyl)-3-oxopropanoate, and the molecular formula is C11H11IO3, Computed Properties of 63131-30-6.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com