Month: November 2022

Suzuki, Hitomi published the artcileJacobsen reaction. V. Direct iodination of polyalkylbenzenes by the crossed Jacobsen reaction, COA of Formula: C10H13I, the main research area is .

cf. CA 60, 6732f. Slow, simultaneous addition of H2SO4 and o-MeOC6H4I (I) to a stirred polyalkylbenzene (II), or its solution in cyclohexane (III), the mixture stirred some time and poured into H2O, and the organic material separated, washed with aqueous NaHSO3, and worked up by fractional distillation (if liquid hydrocarbon) or chromatography on Al2O3 (if solid hydrocarbon) gave a polyalkyliodobenzene (IV). Thus, 24.3 g. p-(iso-Pr)2C6H4 (V) at 35-40° treated, over 1.5 hrs., with 23.4 g. I and 15 g. H2SO4, stirring continued 4 hrs., and the mixture poured into H2O and worked up gave 13.8 g. V, 7.1 g. mixture of I and a dealkylated iodo compound, and 6.0 g. 2,5-(isoPr)2C6H3I, b22 143-6°. Similarly were prepared (II, g. II, hrs. stirring, reaction temperature, IV, g. IV, and m.p. or b.p./mm. IV given): p-(tert-Bu)2C6H4, 3.7 (in 25 ml. III, 3, 30-3°, 2,5-diiodo-1,4-di-tert-butylbenzene (?), –, 49-50°; 1,2,4-Me3C6H3, 12.0, –, –, monoiodo product, 14.5, 121-5°/17-18; 1,3,5-Et3C6H3, 24.3, overnight, 30-2°, 2,4,6-Me3C6H2I, 17.1, 169-70°/31; 1,3,5-(iso-Pr)3C6H3, 20.4, 3 (then left overnight), 35-8°, 2,4,6-(iso-Pr)3C6H2I, 5.9, 173-5°/28; 1,2,4,5-Me4C6H2, 4.0, 4, 30-5°, 2,-3,5,6-Me4C6HI, 5.2, 80-1°; 1,2,4,5-Et4C6H2, 28.5, 4, 30-3°, 2,3,5,6-Et4C6HI, 13.5, 186-8°/26; Me5C6H, 7.4 (in 10 ml. III), 4, 34-6°, Me5C6I, 7.9, 141-2°. 1,2,4,5-(iso-Pr)4C6H2 did not react under these conditions.

Bulletin of the Chemical Society of Japan published new progress about Iodination. 2100-25-6 belongs to class iodides-buliding-blocks, name is 3-Iodo-1,2,4,5-tetramethylbenzene, and the molecular formula is C10H13I, COA of Formula: C10H13I.

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

Huang, Jingjia published the artcileSynthesis of N-Alkylpyridin-4-ones and Thiazolo[3,2-a]pyridin-5-ones through Pummerer-Type Reactions, Category: iodides-buliding-blocks, the main research area is alkylpyridinone thiazolopyridinone preparation Pummerer.

N-Alkylated 4-pyridones were obtained through a one-pot procedure involving either normal or interrupted Pummerer reactions between triflic anhydride-activated sulfoxides and 4-fluoropyridine derivatives, followed by hydrolysis. However, triflic anhydride-activated benzyl 6-fluoro-2-pyridyl sulfoxide could react with alkenes or alkynes to afford thiazolo[3,2-a]pyridin-5-ones, via the pyridinium salt intermediates.

Journal of Organic Chemistry published new progress about Hydrolysis. 685517-67-3 belongs to class iodides-buliding-blocks, name is 2,6-Difluoro-3-iodopyridine, and the molecular formula is C5H2F2IN, Category: iodides-buliding-blocks.

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

Gershon, H. published the artcileAntifungal activity of halophenols and halonitrophenols/, Computed Properties of 21784-73-6, the main research area is fungicide halophenol halonitrophenol.

Thirty one compounds (phenol, 12 monohalo derivatives and 18 nitrophenols, i.e. 2- and 4-nitrophenols, 4-, 5- and 6-halo-2-nitrophenols, 3-halo-4-nitrophenols) were tested for antifungal activity against six fungi (Aspergillus niger, A. oryzae, Myrothecium verrucaria, Trichoderma viride, Mucor cirinelloides, and Trichophyton mentagrophytes) in Sabouraud dextrose broth. The two most fungitoxic compounds were 5-fluoro- and 5-iodo-2-nitrophenol, which inhibited all the fungi at <10 μg/mL. 6-Iodo-2-nitrophenol inhibited 5 fungi at <10 μg/mL and M. cirinelloides at 10-100 μg/mL. Monatshefte fuer Chemie published new progress about Fungicides. 21784-73-6 belongs to class iodides-buliding-blocks, name is 4-Iodo-2-nitrophenol, and the molecular formula is C6H4INO3, Computed Properties of 21784-73-6.

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

Pinto, M. F. S. published the artcilePattern recognition study of structure-activity relationship of halophenols and halonitrophenols against fungus T. mentagrophytes, Recommanded Product: 4-Iodo-2-nitrophenol, the main research area is halophenol halonitrophenol structure activity relationship fungicide Trichophyton; pattern recognition structure activity relationship antifungal halophenol halonitrophenol.

Compounds (halophenols and halonitrophenols) with antifungal activity against the fungus species Trichophyton mentagrophytes are proposed with the aid of techniques of structure-activity relationship. Mol. parameters were calculated with quantum chem., structure-activity relationship and quant. structure-activity relationship programs. Principal components anal., hierarchical cluster anal. and stepwise discriminant anal. methods showed that the parameters polarizability (Pol), heat of formation (ΔHf), lowest unoccupied orbital energy (εLUMO), dipole moment (μ), hydration energy (HE) and surface area (A) are responsible for the separation between the active and inactive compounds

Journal of Molecular Structure: THEOCHEM published new progress about Fungicides. 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

Sanquer, M. published the artcileElastic constants in molecular crystals: experiments and intermolecular potentials, COA of Formula: C10H13I, the main research area is elastic constant mol crystal; durene elasticity crystal; dibenzyl elasticity crystal; chlorobenzophenone elasticity crystal.

Elastic constants were measured for dibenzyl, durene, and iododurene and compared to the computed constants obtained from atom-atom potentials applied to nonbonded atom pairs. Agreement is found for dibenzyl and for the lower and higher phases of p-dichlorobenzophenone whereas computed constants for disordered crystals are systematically too large indicating a coupling between sound waves and the mol. orientational motions.

Studies in Physical and Theoretical Chemistry published new progress about Elasticity. 2100-25-6 belongs to class iodides-buliding-blocks, name is 3-Iodo-1,2,4,5-tetramethylbenzene, and the molecular formula is C10H13I, COA of Formula: C10H13I.

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

Altenbach, Robert J. published the artcileStructure-Activity Studies on a Series of a 2-Aminopyrimidine-Containing Histamine H4 Receptor Ligands, Recommanded Product: Ethyl 3-(4-iodophenyl)-3-oxopropanoate, the main research area is pyrimidine piperazinyl amino histamine H4 receptor ligand antinociceptive antiinflammatory.

A series of 2-aminopyrimidines, e.g. I (R1 = H, Me, OMe, NH2, Ph; R2 = H, Cl, I, NHMe, NMe2, Ph, 2-MeOC6H4, 1-naphthyl, 4-pyridyl, etc.), was synthesized as ligands of the histamine H4 receptor (H4R). Starting from a pyrimidine hit that was identified in an HTS campaign, SAR studies were carried out to optimize the potency, which led to compound I (R1 = H; R2 = t-Bu). This compound was further studied by systematically modifying the core pyrimidine moiety, the methylpiperazine at position 4, the NH2 at position 2, and positions 5 and 6 of the pyrimidine ring. The pyrimidine 6 position benefited the most from this optimization, especially in analogs in which the 6-tert-Bu was replaced with aromatic and secondary amine moieties. The highlight of the optimization campaign was compound I (R1 = H; R2 = 4-NCC6H4), which was potent in vitro and was active as an anti-inflammatory agent in an animal model and had antinociceptive activity in a pain model, which supports the potential of H4R antagonists in pain.

Journal of Medicinal Chemistry published new progress about Analgesics. 63131-30-6 belongs to class iodides-buliding-blocks, name is Ethyl 3-(4-iodophenyl)-3-oxopropanoate, and the molecular formula is C11H11IO3, Recommanded Product: Ethyl 3-(4-iodophenyl)-3-oxopropanoate.

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

Padin, Damian published the artcileRuthenium-Catalyzed Tandem Carbene/Alkyne Metathesis/N-H Insertion: Synthesis of Benzofused Six-Membered Azaheterocycles, COA of Formula: C6H4INO3, the main research area is benzofused six membered azaheterocycle preparation; alkynylaniline trimethylsilyldiazomethane ruthenium catalyst.

The Cp*RuCl-based catalyst enables expedient access to a variety of benzofused six-membered azaheterocycles from unprotected o-alkynylanilines and trimethylsilyldiazomethane through an unprecedent tandem carbene/alkyne metathesis/N-H insertion reaction. The transformation takes place under mild reaction conditions (room temperature, <15 min) and with excellent functional group tolerance. The synthetic utility of the final products and a mechanistic rationale are also discussed. Organic Letters published new progress about Alkylation. 21784-73-6 belongs to class iodides-buliding-blocks, name is 4-Iodo-2-nitrophenol, and the molecular formula is C6H4INO3, COA of Formula: C6H4INO3.

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

Richardson, Mark B. published the artcilePyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer, Quality Control of 105752-04-3, the main research area is pyrocinchonimide conjugate amine protein imide; crystal structure.

Advances in bioconjugation, the ability to link biomols. to each other, small mols., surfaces, and more, can spur the development of advanced materials and therapeutics. The authors have discovered that pyrocinchonimide, the dimethylated analog of maleimide, undergoes a surprising transformation with biomols. The reaction targets amines and involves an imide transfer, which has not been previously reported for bioconjugation purposes. Despite their similarity to maleimides, pyrocinchonimides do not react with free thiols. Though both lysine residues and the N-termini of proteins can receive the transferred imide, the reaction also exhibits a marked preference for certain amines that cannot solely be ascribed to solvent accessibility. This property is peculiar among amine-targeting reactions and can reduce combinatorial diversity when many available reactive amines are available, such as in the formation of antibody-drug conjugates. Unlike amides, the modification undergoes very slow reversion under high pH conditions. The reaction offers a thermodynamically controlled route to single or multiple modifications of proteins for a wide range of applications.

Bioconjugate Chemistry published new progress about Amino group. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Quality Control of 105752-04-3.

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

Rong, Jian published the artcileNovel Reversible-Binding PET Ligands for Imaging Monoacylglycerol Lipase Based on the Piperazinyl Azetidine Scaffold, Recommanded Product: 2-Fluoro-4-iodo-6-methylpyridine, the main research area is piperazinyl azetidine PET ligand preparation imaging monoacylglycerol lipase.

Monoacylglycerol lipase (MAGL) is a 33 kDa serine protease primarily responsible for hydrolyzing 2-arachidonoylglycerol into the proinflammatory eicosanoid precursor arachidonic acid in the central nervous system. Inhibition of MAGL constitutes an attractive therapeutic concept for treating psychiatric disorders and neurodegenerative diseases. Herein, we present the design and synthesis of multiple reversible MAGL inhibitor candidates based on a piperazinyl azetidine scaffold. Compounds 10 and 15 were identified as the best-performing reversible MAGL inhibitors by pharmacol. evaluations, thus channeling their radiolabeling with fluorine-18 in high radiochem. yields and favorable molar activity. Furthermore, evaluation of [18F]10 and [18F]15 ([18F]MAGL-2102) by autoradiog. and positron emission tomog. (PET) imaging in rodents and nonhuman primates demonstrated favorable brain uptakes, heterogeneous radioactivity distribution, good specific binding, and adequate brain kinetics, and [18F]15 demonstrated a better performance. In conclusion, [18F]15 was found to be a suitable PET radioligand for the visualization of MAGL, harboring potential for the successful translation into humans.

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

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

Sohmiya, Hajime published the artcileSolid-state organic reactions proceeding by pulverization: oxidation and halogenation with iodosobenzene and inorganic solid-supports, Product Details of C10H13I, the main research area is solid state halogenation oxidation pulverization.

Pulverization-activation method was employed to accelerate solid-state organic reactions. Crushing and grinding of solid mixtures of hydrogen halide-treated silica gels, iodosobenzene, and organic substrates in the absence of a solvent brought about smooth and rapid reactions to give halogenated and/or oxidized products in good yields. Various sulfides were smoothly converted to sulfonyl chlorides in one step in excellent yields. The surface of silica gel activated by pulverization serves as a reaction field on which reagent mols. can effectively encounter with each other.

Tetrahedron published new progress about Halogenation. 2100-25-6 belongs to class iodides-buliding-blocks, name is 3-Iodo-1,2,4,5-tetramethylbenzene, and the molecular formula is C10H13I, Product Details of C10H13I.

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