Month: November 2022

Grunwald, Marco Andre published the artcileMesomorphic properties of cyanobiphenyl dimers with a substituted central malonate unit: overruling effect of fluorination, Formula: C6H13I, the publication is Liquid Crystals (2022), 49(10), 1347-1358, database is CAplus.

Two series of C2-substituted dimers carrying a central C2-hexyl- or C2-nonafluorohexyl malonate and two cyanobiphenyls attached via alkoxy spacers of various lengths I [R = hexyl, nonafluorohexyl; n = 6, 7, 8, etc.] were synthesized, and the mesomorphic properties were studied by differential scanning calorimetry, polarising optical microscopyand X-ray diffraction (wide-angle and small-angle X-ray scattering). The C2-substituent dimers together with the spacer lengths had a pronounced influence on the phase behavior. In case of C2-hexyl-substituted dimers, shorter spacers favored N phases (n = 6-9), while longer spacers favored SmA phases (n �9). In addition, decreased clearing temperatures were observed In contrast, C2-nonafluorohexyl-substituted dimers suppressed N phases and displayed only SmA phases. Moreover, clearing temperatures and phase stabilities considerably increased. Based on the exptl. determined layer thickness, a packing model for the SmA phases was proposed, where C2-substituted dimers displaced mesophases with mols. in a Y-conformation. As a result, less stable mesophases for C2-hexyl-substituted dimers due to weakened intermol. interactions and more stable mesophases for C2-nonafluorohexyl-substituted dimers due to the fluorophobic effect and nanosegregation were obtained.

Liquid Crystals published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C6H13I, Formula: C6H13I.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Meissner, Stefanie A. published the artcileNanoscale π-conjugated ladders, Formula: C6H13I, the publication is Nature Communications (2021), 12(1), 6614, database is CAplus and MEDLINE.

It is challenging to increase the rigidity of a macromol. while maintaining solubility Established strategies rely on templating by dendrons, or by encapsulation in macrocycles, and exploit supramol. arrangements with limited robustness. Covalently bonded structures have entailed intramol. coupling of units to resemble the structure of an alternating tread ladder with rungs composed of a covalent bond. We introduce a versatile concept of rigidification in which two rigid-rod polymer chains are repeatedly covalently associated along their contour by stiff mol. connectors. This approach yields almost perfect ladder structures with two well-defined π-conjugated rails and discretely spaced nanoscale rungs, easily visualized by scanning tunnelling microscopy. The enhancement of mol. rigidity is confirmed by the fluorescence depolarization dynamics and complemented by mol.-dynamics simulations. The covalent templating of the rods leads to self-rigidification that gives rise to intramol. electronic coupling, enhancing excitonic coherence. The mols. are characterized by unprecedented excitonic mobility, giving rise to excitonic interactions on length scales exceeding 100 nm. Such interactions lead to deterministic single-photon emission from these giant rigid macromols., with potential implications for energy conversion in optoelectronic devices.

Nature Communications published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C6H13I, Formula: C6H13I.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Kuttler, Andrew published the artcileStructure, Theoretical Studies, and Coupling Reactions of Some New Cyclic Boronic Esters, Product Details of C10H9IO4, the publication is Heteroatom Chemistry (2013), 24(5), 361-371, database is CAplus.

The present report describes the x-ray structural and theor. studies of some new pinacolboronate esters, and it also outlines the use of the target structures in Suzuki coupling reactions to produce new aromatic or heteroaromatic esters and amides. X-ray structural anal. of the studied compounds revealed that the pinacolborane ring’s position with respect to the benzene ring varies, depending on the particular environment. An ortho-positioned carboxylic ester (Me ester) causes a nearly perpendicular orientation of the pinacolborane unit with respect to the benzene ring, whereas an ortho-positioned amide (N,N-dimethylamide) causes the pinacolborane unit to orient itself nearly coplanar. A plausible explanation was provided, based on both steric and electronic factors. © 2013 Wiley Periodicals, Inc. Heteroatom Chem.

Heteroatom Chemistry published new progress about 165534-79-2. 165534-79-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Benzene,Ester, name is Dimethyl 2-iodoterephthalate, and the molecular formula is C10H9IO4, Product Details of C10H9IO4.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Benin, Vladimir published the artcileSynthesis and flame retardant testing of new boronated and phosphonated aromatic compounds, Category: iodides-buliding-blocks, the publication is Journal of Materials Chemistry (2012), 22(3), 1180-1190, database is CAplus.

The present report describes the preparation and use of some di-Me terephthalate derivatives in transition metal-catalyzed coupling reactions to produce new reactive flame retardants. Di-Me iodoterephthalate and di-Me 2,5-diiodoterephthalate were successfully employed in the preparation of phosphonic and boronic esters and acids. The latter were tested for heat release with a microcombustion calorimeter (ASTM D7309) to determine the potential for heat release reduction of these flame retardant mols. The results showed that the addition of boronic or phosphonic acids greatly lowered the heat release, due to a condensed phase (char formation) mechanism. Adding ester groups to the boronic acids or phosphonic acids could either completely remove all flame retardant effects or make the mol. act more like a vapor phase flame retardant. Finally, the various potential flame retardants were solvent blended with a thermoplastic polyurethane to assess their flammability reduction effects by microcombustion calorimetry. The results of these experiments found that the mols. that reduced heat release the most by themselves showed the greatest reduction in heat release in a polyurethane as well, with the boronic acids yielding the greatest reduction in heat release.

Journal of Materials Chemistry published new progress about 165534-79-2. 165534-79-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Benzene,Ester, name is Dimethyl 2-iodoterephthalate, and the molecular formula is C10H9IO4, Category: iodides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

de Gaudemaris, G. published the artcilep-Iodobenzohydrazide: a reagent for the carbonyl group, Recommanded Product: 4-Iodobenzohydrazide, the publication is Bulletin de la Societe Chimique de France (1950), 63-5, database is CAplus.

p-IC₆H₄CONHNH₂, prepared by the method of Sah and Hsü (C.A. 35, 4362.8), reacts with carbonyl groups in EtOH at 95° in the presence of a small amount of HOAc to give p-iodobenzoylhydrazones. These products are analyzed for iodine by reaction with Na (Drogin and Rosanoff, C.A. 10, 871) and a subsequent Volhard titration Derivatives were prepared of pinacolone, m. 154°; ethylpinacolone, m. 146-7°; iso-BuCOMe, m. 136°; Me nonyl ketone, m. 118°; MeCH:CHCOMe, m. 183-4°; MeCH:CMeCOMe, m. 158-60°; mesityl oxide, m. 141-2°; MeCHCMe:CMeCOMe, m. 138°; Me₂C(OH)COMe, m. 84-5°; Et₂C(OH)COMe, m. 135-6°; benzoin, m. 194°; EtCH(OH)COMe, m. 133-4°; MeCH(OH)CHMeCOMe, m. 150°; and the tertiary β-ketols prepared by Dubois (C.A. 43, 5004d) from Me₂CO, MeCOC₆H₁₃, Pr₂CHCOMe, and pinacolone, m. 110-12°, 167-8°, 142° and 164°, resp.

Bulletin de la Societe Chimique de France published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, Recommanded Product: 4-Iodobenzohydrazide.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Sapountzis, Ioannis published the artcileSynthesis of nitro-substituted polyfunctional biphenyls by Negishi cross-coupling of o-nitroarylzinc reagents, Quality Control of 101420-79-5, the publication is Advanced Synthesis & Catalysis (2004), 346(7), 709-712, database is CAplus.

The iodine-magnesium exchange reaction allows the preparation of polyfunctional arylmagnesium species bearing a nitro group in the ortho-position. After transmetalation to the corresponding arylzinc compound, these organometallics undergo a palladium-catalyzed Negishi cross-coupling with various aryl iodides to provide polyfunctional biphenyls bearing nitro groups in moderate to good yields. Thus, reaction of Et 4-iodo-3-nitrobenzoate with mesitylmagnesium bromide followed by treatment with ZnBr₂ gave nitroarylzinc reagent which on Pd(dba)₂-catalyzed Negishi cross-coupling with 4-iodo-1-nitrobenzene gave 85% Et 2,4′-dinitro[1,1′-biphenyl]-4-carboxylate.

Advanced Synthesis & Catalysis published new progress about 101420-79-5. 101420-79-5 belongs to iodides-buliding-blocks, auxiliary class Nitrile,Nitro Compound,Iodide,Benzene,Benzene Compounds, name is 4-Iodo-3-nitrobenzonitrile, and the molecular formula is C7H3IN2O2, Quality Control of 101420-79-5.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Sapountzis, Ioannis published the artcileSynthesis of Functionalized Nitroarylmagnesium Halides via an Iodine-Magnesium Exchange, SDS of cas: 101420-79-5, the publication is Journal of Organic Chemistry (2005), 70(7), 2445-2454, database is CAplus and MEDLINE.

Various nitro-substituted aryl and heteroaryl iodides undergo an iodine-magnesium exchange reaction when treated with PhMgCl leading to nitro-containing magnesium organometallics. These Grignard reagents display an excellent stability at temperatures below -40 °C and do not undergo electron-transfer reactions. They react as expected with various electrophiles. E.g., reaction of 2-IC₆H₄NO₂ with PhMgCl resulted in iodine-magnesium exchange to give a nitro-substituted Grignard reagent, which reacted with PhCHO to give 2-O₂NC₆H₄CHPhOH. In addition, transmetalation of the nitro-substituted Grignard reagents by CuCN.2LiBr, followed by reaction with electrophiles, was successful. Transmetalation of the nitro-substituted Grignard reagents by ZnBr₂ gave organozinc intermediates, which underwent Pd-catalyzed Negeshi cross-coupling reaction with aryl iodides.

Journal of Organic Chemistry published new progress about 101420-79-5. 101420-79-5 belongs to iodides-buliding-blocks, auxiliary class Nitrile,Nitro Compound,Iodide,Benzene,Benzene Compounds, name is 4-Iodo-3-nitrobenzonitrile, and the molecular formula is C7H3IN2O2, SDS of cas: 101420-79-5.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Wang, Xiu published the artcileSynthesis, antifungal activity and 3D-QSAR study of novel nopol-based 1,3,4-thiadiazole-thioether compounds, Application In Synthesis of 39115-95-2, the publication is Research on Chemical Intermediates (2021), 47(10), 4029-4049, database is CAplus.

A series of novel nopol derivatives containing 1,3,4-thiadiazole-thioether moiety I [R = H, 2-Me, 3-CF₃, etc.] were synthesized from β-pinene, which is a natural, abundant and renewable biomass resource. Their structures were characterized by FT-IR, ¹H NMR, ¹³C NMR, ESI-MS and elemental anal. In vitro antifungal activity of the target compounds was preliminarily evaluated against eight tested plant pathogens, including Fusarium oxysporum f. sp. cucumerinum, Cercospora arachidicola, Physalospora piricola, Alternaria solani, Gibberella zeae, Rhizoeotnia solani, Bipolaris maydis and Colleterichum orbicalare. The bioassay results revealed that, at the concentration of 50μg/mL, all the target compounds showed certain inhibition activity against the eight tested fungi. Compounds I [R = 3-OMe, 3-F, 3-I] had excellent inhibition rates of 77.8%, 88.9% and 77.8%, resp., against P. piricola, showing much better antifungal activity than that of the pos. control chlorothalonil. Meanwhile, compound I [R = 4-Cl] displayed antifungal activity of 80.7% against R. solani. Furthermore, the anal. of three-dimensional quant. structure-activity relationship (3D-QSAR) was performed for the relationship between the structures of the target compounds and their antifungal activity against P. piricola by CoMFA method. A reasonable CoMFA model (n = 6; q² = 0.597; r² = 0.985) was established.

Research on Chemical Intermediates published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C10H9ClN2O, Application In Synthesis of 39115-95-2.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Huang, Mei published the artcileSynthesis, Antifungal Activity, 3D-QSAR and Molecular Docking Study of Novel Menthol-Derived 1,2,4-Triazole-thioether Compounds, Formula: C7H7IN2O, the publication is Molecules (2021), 26(22), 6948, database is CAplus and MEDLINE.

A series of novel menthol-derived triazole-thioether compounds I [R = 2-MeC₆H₄, 3,4-di-MeOC₆H₃, 2-thienyl, etc.] were designed, synthesized, characterized structurally and evaluated biol. to explore more potent natural product-based antifungal agents. The bioassay results revealed that at 50μg/mL, some of the target compounds exhibited good inhibitory activity against the tested fungi, especially against Physalospora piricola. Compounds I [R = 2-MeC₆H₄, 2-ClC₆H₄, 3,4-di-MeOC₆H₃, 2-furyl, etc.] had inhibition rates of 93.3%, 79.4%, and 79.4%, resp., against P. piricola, much better than that of the pos. control chlorothalonil. Compounds I [R = 3,4-di-MeOC₆H₃, 3-FC₆H₄] held inhibition rates of 82.4% and 86.5% against Cercospora arachidicola and Gibberella zeae, resp., much better than that of the com. fungicide chlorothalonil. Compound I [R = 2-MeC₆H₄] displayed antifungal activity of 90.5% and 83.8%, resp., against Colleterichum orbicalare and Fusarium oxysporum f. sp. cucumerinum. Compound I [R = 2-IC₆H₄] had inhibition rates of 88.6%, 80.0%, and 88.0%, resp., against F. oxysporum f. sp. cucumerinu, Bipolaris maydis and C. orbiculare. Furthermore, compound I [R = 2-MeC₆H₄] showed the best and broad-spectrum antifungal activity against all the tested fungi. To design more effective antifungal compounds against P. piricola, 3D-QSAR anal. was performed using the CoMFA method, and a reasonable 3D-QSAR model (r² = 0.991, q² = 0.514) was established. The simulative binding pattern of the target compounds with cytochrome P 450 14α-sterol demethylase (CYP51) was investigated by mol. docking.

Molecules published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, Formula: C7H7IN2O.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Price, Daniel J. published the artcileAn orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model, Product Details of C13H8BrIN2O2S, the publication is Bioorganic & Medicinal Chemistry Letters (2018), 28(10), 1958-1963, database is CAplus and MEDLINE.

Hypothalamic CAMKK2 represents a potential mechanism for chem. affecting satiety and promoting weight loss in clin. obese patients. Single-digit nanomolar inhibitors of CAMKK2 were identified in three related ATP-competitive series. Limited optimization of kinase selectivity, solubility, and pharmacokinetic properties were undertaken on all three series, as SAR was often transferrable. Ultimately, a 2,4-diaryl 7-azaindole was optimized to afford a tool mol. that potently inhibits AMPK phosphorylation in a hypothalamus-derived cell line, is orally bioavailable, and crosses the blood-brain barrier. When dosed orally in rodents, compound 4t limited ghrelin-induced food intake.

Bioorganic & Medicinal Chemistry Letters published new progress about 757978-19-1. 757978-19-1 belongs to iodides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Bromide,Iodide,Sulfamide,Benzene, name is 5-Bromo-3-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine, and the molecular formula is C13H8BrIN2O2S, Product Details of C13H8BrIN2O2S.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com