Category: iodides-buliding-blocks

Hedidi, Madani published the artcileDeprotometalation of substituted pyridines and regioselectivity-computed CH acidity relationships, Recommanded Product: 2,6-Difluoro-3-iodopyridine, the main research area is pyridine deprotometalation regioselectivity CH acidity relationship DFT B3LYP G3MP2B3.

A series of methoxy- and fluoro-pyridines have been deprotometalated in THF at room temperature by using a mixed lithium-zinc combination obtained from ZnCl2·TMEDA (TMEDA=N,N,N’,N’-tetramethylethylenediamine) and LiTMP (TMP=2,2,6,6-tetramethylpiperidino) in a 1:3 ratio, and the metalated species intercepted by iodine. Efficient functionalization at the 3 position was observed from 4-methoxy, 2-methoxy, 2,6-dimethoxy, 2-fluoro and 2,6-difluoropyridine, and at the 4 position from 3-methoxy and 2,3-dimethoxypyridine. Interestingly, clean dideprotonation was noted from 3-fluoropyridine (at C2 and C4) and 2,6-difluoropyridine (at C3 and C5). The obtained regioselectivities have been discussed in light of the CH acidities of the substrates, determined both in the gas phase (DFT B3LYP and G3MP2B3 levels) and in THF solution In the case of methoxypyridines, the pKa values have also been calculated for complexes with LiCl and LiTMP.

Tetrahedron published new progress about Acidity. 685517-67-3 belongs to class iodides-buliding-blocks, name is 2,6-Difluoro-3-iodopyridine, and the molecular formula is C5H2F2IN, Recommanded Product: 2,6-Difluoro-3-iodopyridine.

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

Schlosser, Manfred published the artcileThe structural proliferation of 2,6-difluoropyridine through organometallic intermediates, Quality Control of 685517-67-3, the main research area is difluoropyridine reaction; pyridine difluoro reaction.

Contrary to a literature claim, 2,6-difluoropyridine-3-carboxaldehyde can be readily prepared by consecutive treatment of 2,6-difluoropyridine with lithium diisopropylamide and N,N-dimethylformamide. Regioselective displacements of fluorine from the aldehyde by nucleophiles were carried out. To demonstrate the versatility of the organometallic approach, some two dozens of further 2,6-difluoropyridine derivatives were prepared applying a combination of modern organometallic methods such as site selective hydrogen/metal and halogen/metal permutations and deprotonation-triggered heavy halogen migrations.

European Journal of Organic Chemistry published new progress about difluoropyridine reaction; pyridine difluoro reaction. 685517-67-3 belongs to class iodides-buliding-blocks, name is 2,6-Difluoro-3-iodopyridine, and the molecular formula is C5H2F2IN, Quality Control of 685517-67-3.

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

Ren, Li published the artcileDiscovery of Highly Potent, Selective, and Efficacious Small Molecule Inhibitors of ERK1/2, Safety of 2-Fluoro-4-iodo-6-methylpyridine, the main research area is pyridone ERK inhibitor pharmacokinetics.

Using structure-based design, a novel series of pyridone ERK1/2 inhibitors was developed. Optimization led to the identification of I, a potent, selective, and orally bioavailable agent that inhibited tumor growth in mouse xenograft models. On the basis of its in vivo efficacy and preliminary safety profiles, I was selected for further preclin. evaluation.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 884494-45-5 belongs to class iodides-buliding-blocks, name is 2-Fluoro-4-iodo-6-methylpyridine, and the molecular formula is C6H5FIN, Safety of 2-Fluoro-4-iodo-6-methylpyridine.

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

Ott, David E. published the artcileInhibition of Friend virus replication by a compound that reacts with the nucleocapsid zinc finger: anti-retroviral effect demonstrated in vivo, Synthetic Route of 105752-04-3, the main research area is retrovirus replication nucleocapsid zinc finger modulator.

The zinc finger structure that is found in the nucleocapsid protein of nearly all retroviruses has been proposed as a target for antiviral therapy. Since compounds that chem. attack the cysteines of the finger have been shown to inactivate both human immunodeficiency virus type 1 (HIV-1) and murine leukemia virus (MuLV) in vitro, 14 of these compounds were tested in an MuLV-induced Friend disease model to assess their ability to inhibit retroviral replication in vivo. Of the 14 compounds tested, only Aldrithiol-2 clearly exhibited anti-retroviral activity as measured indirectly by the delay of Friend disease onset. These results were confirmed by quant. competitive polymerase chain reaction studies which monitored viral spread by measuring the level of viral DNA in the peripheral blood mononuclear cells of treated mice. Comparison of treated mice with untreated mice revealed that Aldrithiol-2 produced a greater than 2-log reduction in virus levels. These results functionally demonstrate that a zinc finger-attacking compound can inhibit viral replication in vivo. Since only 1 of the 14 compounds studied was effective, this study also shows the importance of in vivo testing of these types of antiviral compounds in an animal model. Given the strict conservation of the metal-coordinating cysteine structure within HIV-1 and MuLV zinc fingers, the results support the proposal that anti-retroviral drugs which target the nucleocapsid zinc finger may be clin. useful against HIV-1.

Virology published new progress about Antiviral 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

Jin, Zuxi published the artcileSynthesis and structure of a novel alkynyl-containing disulfide compound as cathode materials for secondary lithium batteries, Related Products of iodides-buliding-blocks, the main research area is secondary lithium battery cathode alkynyl disulfide compound synthesis.

A novel alkynyl-containing disulfide compound, 5,8-dihydro-1H,4H-2,3,6,7-tetrathia-anthracen (TMSEDTTA), was synthesized. The structures of the target compound and the intermediates have been identified by 1H NMR, 13C NMR, mass spectrometry, Fourier-transform IR, Raman spectra, XPS, and elemental anal. In addition, the structure of (Z)-(1,2-dibromo-2-(2,3,5,6-tetrakis(bromomethyl)phenyl)vinyl)trimethylsilane was determined by single x-ray anal. Supplementary materials are available for this article. Go to the publisher’s online edition of Synthetic Communications for the following free supplemental resource(s): Full exptl. and spectral details.

Synthetic Communications published new progress about Battery cathodes. 2100-25-6 belongs to class iodides-buliding-blocks, name is 3-Iodo-1,2,4,5-tetramethylbenzene, and the molecular formula is C10H13I, Related Products of iodides-buliding-blocks.

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

Ghosh, Soumyajit published the artcileCo-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure-mechanical property and thermal studies, Recommanded Product: 4-Iodo-3-nitroaniline, the main research area is structure mech property thermal cocrystals caffeine; caffeine cocrystal substituted nitroaniline nitrobenzoic acid crystallog.

Nine new 1 : 1 co-crystals of caffeine with some halogenated nitroanilines and two nitrobenzoic acids were synthesized. These new caffeine (CAF) co-crystals, with 4-nitroaniline (4NA), 4-fluoro-3-nitroaniline (4F3NA), 4-chloro-3-nitroaniline (4Cl3NA), 4-iodo-3-nitroaniline (4I3NA), 2-fluoro-5-nitroaniline (2F5NA), 2-chloro-5-nitroaniline (2Cl5NA), 2-iodo-4-nitroaniline (2I4NA), 2,4-dinitrobenzoic acid (24DNB), 2-fluoro-5-nitrobenzoic acid (2F5NB), are characterized by single crystal x-ray diffraction, DSC, TGA and IR spectroscopy. The co-crystals adopt a range of structures, two-dimensional (2D) flat layer, corrugated layer and 3-dimensional interlocked structures. Crystals allowed us to establish a structure-mech. property relation by using a simple mech. deformation (qual.) method. The 2-dimensional flat layer crystals (CAF/24DNB, CAF/2Cl5NA and CAF/2I4NA), which have strong intralayer and weak interlayer interactions show shear deformation behavior, while those with weak intralayer interactions (CAF/4Cl3NA and CAF/4I3NA) show brittle fracture on application of a mech. stress. The structures with corrugated layers (CAF/2F5NA) or 3-dimensional interlocked packing (CAF/NA, CAF/2F5NB and CAF/4F3NA) also show brittle behavior. The authors also show the need for a wide initial search, targeting even the least expected synthons, to improve the efficiency of co-crystal screening.

CrystEngComm published new progress about Brittle fracture. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Recommanded Product: 4-Iodo-3-nitroaniline.

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

Ansari, Nurul N. published the artcileChemoselectivity in the Kosugi-Migita-Stille coupling of bromophenyl triflates and bromo-nitrophenyl triflates with (ethenyl)tributyltin, Quality Control of 21784-73-6, the main research area is bromophenyl triflate bromonitrophenyl triflate ethenyl tributyltin Stille coupling chemoselective.

Kosugi-Migita-Stille cross coupling reactions of (ethenyl)tributyltin with all isomeric permutations of bromophenyl triflate and bromo-nitrophenyl triflate were examined in order to determine the chemoselectivity of carbon-bromine vs. carbon-triflate bond coupling under different reaction conditions. In general, highly selective carbon-bromine bond cross couplings were observed for example bis(triphenylphosphine)palladium dichloride (2 mol %) in 1,4-dioxane at reflux. In contrast, reactions using the same pre-catalyst but in the presence of a three-fold excess of lithium chloride in N,N-dimethylformamide at ambient temperature were in most cases selective for coupling at the carbon-triflate bond. Overall, isolated yields and the selectivity for carbon-bromine bond coupling were significantly higher compared to carbon-triflate bond coupling.

Tetrahedron published new progress about Chemoselectivity. 21784-73-6 belongs to class iodides-buliding-blocks, name is 4-Iodo-2-nitrophenol, and the molecular formula is C6H4INO3, Quality Control of 21784-73-6.

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

Wang, Cailan published the artcileMacrocyclic factor XIa inhibitors, Recommanded Product: 4-Iodo-3-nitroaniline, the main research area is macrocyclic phenylimidazole preparation factor XIa inhibitor anticoagulant thromboplastin; Activated partial thromboplastin time; FXIa; Factor XIa inhibitors; Thrombosis; aPTT.

A series of macrocyclic factor XIa (FXIa) inhibitors was designed based on an anal. of the crystal structures of the acyclic phenylimidazole compounds Further optimization using structure-based design led to inhibitors with pM affinity for FXIa, excellent selectivity against a panel of relevant serine proteases, and good potency in the activated partial thromboplastin time (aPTT) clotting assay.

Bioorganic & Medicinal Chemistry Letters published new progress about Anticoagulants. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Recommanded Product: 4-Iodo-3-nitroaniline.

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

Lindberg, James G. published the artcileQuantitative estimation of steric effects. III. Substituent constants and steric contributions to chemical shifts of methyl group protons in ring iodinated methylbenzenes, Computed Properties of 2100-25-6, the main research area is methyliodobenzene NMR substituent constant; steric effect methyliodobenzene NMR; iodomethylbenzene steric effect NMR.

PMR spectra were systematically analyzed for 27 methylbenzenes and corresponding ring iodinated derivatives based on toluene, o-, m-, and p-xylenes, mesitylene, durene, pentamethylbenzene, and hexamethylbenzene. Typical changes in the chemical shift of methyl group protons attributable to the presence of ortho, meta, and para iodine atoms and methyl groups were calculated. Unusually large low field shifts occurred in sterically crowded molecules. In ring periodinated compounds, PMR signals of methyl group protons occurred at lower fields up to 0.94 ppm relative to a predicted position, one of the largest steric shifts yet reported. A table is presented summarizing the generally useful substituent constant data obtained from examination of 59 methylbenzenes and ring halogenated derivatives

Journal of Magnetic Resonance (1969-1992) published new progress about Steric effects. 2100-25-6 belongs to class iodides-buliding-blocks, name is 3-Iodo-1,2,4,5-tetramethylbenzene, and the molecular formula is C10H13I, Computed Properties of 2100-25-6.

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

Galli, Carlo published the artcileStudies of substrate selectivity in aromatic iodination and other substitution reactions reinforce previous conclusions about the nature of the mechanism of electrophilic aromatic substitutions, Application of 3-Iodo-1,2,4,5-tetramethylbenzene, the main research area is substitution electrophilic aromatic mechanism substrate selectivity; iodination aromatic mechanism substrate selectivity; bromination aromatic mechanism substrate selectivity; acetylation aromatic mechanism substrate selectivity; mercuration aromatic mechanism substrate selectivity; thallation aromatic mechanism substrate selectivity; nitration aromatic mechanism substrate selectivity.

The authors have investigated substrate selectivity as a probe to distinguish between electron-transfer (ET) and conventional polar mechanisms of electrophilic aromatic substitution. Selectivity toward mesitylene and durene, in competition experiments, has been determined for iodination, bromination, acetylation, mercuration and thallation reactions under the same exptl. conditions. In all cases mesitylene, i.e., the substrate with the higher σ-basicity, was more reactive than durene; a similar behavior was shared by two other pairs of substrates, namely, mesitylene/naphthalene and m-C6H4(OMe)2/p-C6H4(OMe)2, where again the more reactive substrate within each pair was that with the higher σ-basicity. These findings suggest that the structure of the transition state of the above reactions resembles that of the σ-complex, and would therefore endorse the conventional polar mechanism of electrophilic aromatic substitution. Only for the nitration reactions were the exptl. results too ambiguous to allow a definite mechanistic conclusion to be reached.

Journal of the Chemical Society, Perkin Transactions 7: Physical Organic Chemistry published new progress about Acetoxylation. 2100-25-6 belongs to class iodides-buliding-blocks, name is 3-Iodo-1,2,4,5-tetramethylbenzene, and the molecular formula is C10H13I, Application of 3-Iodo-1,2,4,5-tetramethylbenzene.

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