Category: 105752-04-3

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

Borkar, Vitthal T. published the artcileA novel ternary approach to quantitatively assess the reactivity of nitroaniline regioisomers by investigation of rapid iodination kinetics using hydrodynamic voltammetry, reduction propensities from polarography, and binding affinities from molecular docking simulations, Synthetic Route of 105752-04-3, the main research area is nitroaniline regioisomer iodination reaction mechanism kinetic study mol docking.

A novel ternary approach to assess the reactivity of nitroaniline regioisomers on a quant. scaffold has been manifested on the basis of three complementary tenets: kinetics, polarog., and mol. docking. Data from investigation of rapid iodination kinetics of nitroaniline regioisomers by hydrodynamic voltammetry in aqueous medium, reduction propensities of these regioisomers from polarog., and their binding affinities with hypoxanthine-guanine phophoribosyltransferase (HPRT1) from mol. docking simulations lead to inferences regarding their reactivity that agree in entirety. The exptl. determined magnitudes of the specific reaction rates, energies of activation, collision frequencies, entropies of activation from kinetic studies, and reduction propensities of nitroaniline regioisomers from polarograms when complemented with in silico binding energies of these regioisomer ligands with the receptor enzyme, assess their relative reactivities in unison on a quant. scaffold. This novel ternary approach unambiguously assesses the reactivity of the regioisomers of nitroaniline as 4-nitroaniline > 2-nitroaniline > 3-nitroaniline.

International Journal of Chemical Kinetics published new progress about Activation energy. 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

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

Orlov, V. Yu. published the artcileEffect of the electronic structure of the radical anions of 4-substituted 1,2- and 1,3-dinitrobenzenes on the regioselectivity of reduction of the nitro groups, Name: 4-Iodo-3-nitroaniline, the main research area is selective reduction dinitrobenzene regioselectivity nitro group.

Theor. and exptl. regularities of the regioselectivity of the reduction of one of the two nitro groups in unsym. dinitrobenzenes were studied. It was found that the regioselectivity of the formation of isomeric nitroanilines depends on the structure of the substrate and the nature of the reducing agent. The reduction regioselectivity model was verified, according to which radical anion protonation is the major reaction direction.

Russian Journal of General Chemistry published new progress about AM1 (molecular orbital method). 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Name: 4-Iodo-3-nitroaniline.

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

Gundoju, Narayanarao published the artcileBetulinic acid derivatives: a new class of α-glucosidase inhibitors and LPS-stimulated nitric oxide production inhibition on mouse macrophage RAW 264.7 cells, Name: 4-Iodo-3-nitroaniline, the main research area is betulinic acid alpha glucosidase inhibitor; LPS-stimulated nitric oxide production inhibition; betulinic acid; α-glucosidase inhibition.

Chem. manipulation studies were conducted on betulinic acid, twenty-one new rationally designed analogs of betulinic acid with modifications at C-28 were synthesized for their evaluation of inhibitory effects on α-glucosidase and LPS-stimulated nitric oxide production in mouse macrophage RAW 264.7 cells. 2-Oxo-2-morpholinoethyl 3β-hydroxylup-20(29)-en-28-oate (2; IC50 = 5.4 μM) exhibited an almost 1.4-fold increase in α-glucosidase inhibitory activity on yeast α-glucosidase while analogs (IC50 16.4 μM) and (IC50 16.6 μM) exhibited a 2-fold enhanced inhibitory activity on NO-production than betulinic acid.

Natural Product Research published new progress about Structure-activity relationship. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Name: 4-Iodo-3-nitroaniline.

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

Lai, Yu-Ying published the artcileSynthesis, Molecular and Photovoltaic Properties of an Indolo[3,2-b]indole-Based Acceptor-Donor-Acceptor Small Molecule, Application In Synthesis of 105752-04-3, the main research area is conjugated polymer indoloindole acceptor donor synthesis photovoltaic property; heterojunction solar cell indoloindole acceptor donor photovoltaic property.

Indolo[3,2-b]indole, containing two fused indole units, is an unexplored but promising electron-rich mol. for constructing donor-acceptor materials due to its planar, sym., and extended conjugated structure. A new synthetic pathway is successfully developed to prepare 2,7-diboronic ester-indolo[3,2-b]indole, which was then reacted with dithienodiketopyrrolo-pyrrole acceptor to afford a new acceptor-donor-acceptor (A-D-A) conjugated mol., 2,7-bis(dithienodiketopyrrolo-pyrrole)indolo[3,2-b]indole (2,7-DPPIIDPP). II is used to stand for indolo[3,2-b]indole in order to emphasize that this compound is constructed from two indole units. The A-D-A linkage through the 2,7-positions of II not only preserves the phenylene units in the para-conjugation but also renders stronger electron-donating strength. This material exhibited good thermal stability, high crystallinity, and broad UV/Vis absorption. The solution-processed bulk heterojunction device using the configuration of ITO/PEDOT:PSS/2,7-DPPIIDPP:PC71BM/Ca/Al exhibited a Voc of 0.72 V, a Jsc of 6.88 mA/cm2, and an FF of 49.6%, leading to a power conversion efficiency (PCE) of 2.45%.

European Journal of Organic Chemistry published new progress about Heterojunction semiconductor devices. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Application In Synthesis of 105752-04-3.

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

Sumi Mitra, S. published the artcilePolymer-bound benzyltriethylammonium polyhalides: recyclable reagents for the selective iodination of amines and phenols, Formula: C6H5IN2O2, the main research area is polymer bound benzyltriethylammonium halide iodination agent; phenol iodination polymer bound benzyltriethylammonium halide; amine iodination polymer bound benzyltriethylammonium halide.

Polymer-bound benzyltriethylammonium dichloroiodate, tetrachloroiodate, and dibromoiodate reagents were developed as new recyclable solid-phase reagents. The use of these polymeric polyhalides for the iodination of activated benzene and naphthalene derivatives such as amines and phenols is described. The spent reagents after the synthetic reactions were easily removed by filtration and were regenerated for further use. The efficiency of these reagents towards mono-selectivity in aromatic iodination and the variation of reactivity of the iodinating reagents as a function of the nature of solvent, effective molar concentration and temperature were investigated.

Reactive & Functional Polymers published new progress about Aromatic amines Role: RCT (Reactant), RACT (Reactant or Reagent). 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Formula: C6H5IN2O2.

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

Kahandal, Sandeep S. published the artcileGreener iodination of arenes using sulphated ceria-zirconia catalysts in polyethylene glycol, Safety of 4-Iodo-3-nitroaniline, the main research area is sulfated ceria zirconia catalyst polyethylene glycol arene iodination.

An environmentally benign method for the selective monoiodination of diverse aromatic compounds has been developed using reusable sulfated ceria-zirconia under mild conditions. The protocol provides moderate to good yields and selectively introduces iodine at the para/ortho position in monosubstituted arenes. SO42-/Ce0.07Zr0.93O2 was found to be the best choice for the synthesis of aryl iodides in high yield, presumably due to the maximum number of acid sites (4.23 mmol g-1) among the various compositions of the catalyst system.

RSC Advances published new progress about Aromatic hydrocarbons Role: RCT (Reactant), RACT (Reactant or Reagent). 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Safety of 4-Iodo-3-nitroaniline.

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

Maya, Francisco published the artcileSynthesis of Fluorinated Oligomers toward Physical Vapor Deposition Molecular Electronics Candidates, Safety of 4-Iodo-3-nitroaniline, the main research area is fluorinated oligomer thiol nitrile pyridine chemisorption gold platinum; safety deprotection thioacetate.

New electron-deficient fluorinated oligo(phenylene ethynylenes) (OPEs) with varied functional groups were synthesized as free thiols, nitriles, and pyridines, ready to be used for surface adhesion. Calculated dipole moments suggest better matching between energy levels of bulk interfaces and mol. frontier orbitals when compared to nonfluorinated OPEs. Differential scanning calorimetry confirmed a higher thermal stability than the nonfluorinated counterparts. Surface anal. by ellipsometry, contact angle goniometry, cyclic voltammetry, and surface IR and XPS verified that the OPEs chemisorb on Au and Pt surfaces. On the basis of the phys. properties of the fluorinated OPEs, they might be useful in future phys. vapor deposition techniques, methods that are typically used in standard semiconductor fabrication processes. Safety: deprotection of a thioacetate derivative led to a violent explosion.

Chemistry of Materials published new progress about Differential scanning calorimetry (of fluorinated oligo(phenylene ethynylenes)). 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Safety of 4-Iodo-3-nitroaniline.

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

Mitra, Sudha Sumi published the artcilePolyhalide derivatives of poly[N-(2-aminoethyl)acrylamido]triethylammonium resins as iodinating reagents, Application In Synthesis of 105752-04-3, the main research area is polyacrylamide ammonium polyhalide iodinating reagent preparation; aryl amine iodination polyacrylamide ammonium polyhalide; phenol iodination polyacrylamide ammonium polyhalide; regioselective iodinating reagent aromatic amine phenol; iodo arene preparation.

Poly[N-(2-aminoethyl)acrylamido]triethylammonium dichloroiodate, tetrachloroiodate, and dibromoiodate resins are useful for selective iodination of aromatic amines and phenols. The influence of the various reaction parameters including nature of the solvent, effective molar concentration of the reagent, and temperature were investigated to find out optimum reaction conditions for achieving selectivity for monoiodination.

Macromolecular Chemistry and Physics published new progress about Aryl halides Role: SPN (Synthetic Preparation), PREP (Preparation). 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Application In Synthesis of 105752-04-3.

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