Month: December 2022

Dupuy, Stephanie published the artcileTerminal-Selective Functionalization of Alkyl Chains by Regioconvergent Cross-Coupling, Product Details of C28H41N2P, the publication is Angewandte Chemie, International Edition (2016), 55(47), 14793-14797, database is CAplus and MEDLINE.

Hydrocarbons are still the most important precursors of functionalized organic mols., which has stirred interest in the discovery of new C-H bond functionalization methods. We describe herein a new step-economical approach that enables C-C bonds to be constructed at the terminal position of linear alkanes. First, we show that secondary alkyl bromides can undergo in situ conversion into alkyl zinc bromides and regioconvergent Negishi coupling with aryl or alkenyl triflates. The use of a suitable phosphine ligand favoring Pd migration enabled the selective formation of the linear cross-coupling product. Subsequently, mixtures of secondary alkyl bromides were prepared from linear alkanes by standard bromination, and regioconvergent cross-coupling then provided access to the corresponding linear arylation product in only two steps.

Angewandte Chemie, International Edition published new progress about 1160556-64-8. 1160556-64-8 belongs to quinuclidine, auxiliary class Mono-phosphine Ligands, name is 2′-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl-[1,1′-biphenyl]-2,6-diamine, and the molecular formula is C28H41N2P, Product Details of C28H41N2P.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Lu, Xiaoxin published the artcileNumerical modeling and experimental characterization of the AC conductivity and dielectric properties of CNT/polymer nanocomposites, Application In Synthesis of 1761-71-3, the publication is Composites Science and Technology (2020), 108150, database is CAplus.

In this work, we proposed a multiscale numerical model to estimate the elec. conductivity and dielec. constants of the CNT/polymer nanocomposites, taking into account the tunneling effect between neighboring CNTs separated at nanoscale and the frequency-dependent dielec. properties of each components. Finite element method was employed to solve the formulations, and the CNTs were modeled by highly conductive line segments in order to avoid the mesh problems. Experiments have been carried out in carbon nanotubes/epoxy nanocomposites in order to compare to the simulation results. The numerical estimations of the elec. conductivity are in good agreement with the exptl. measurement by network analyzers. Moreover, the calculated dielec. permittivity agrees with the exptl. data for the nanocomposites whose CNT content is beyond percolation threshold. Below percolation threshold, the proposed model also works well in the prediction of dielec. constants when the frequency is over 103Hz.

Composites Science and Technology published new progress about 1761-71-3. 1761-71-3 belongs to quinuclidine, auxiliary class Ploymers, name is 4,4-Diaminodicyclohexyl methane, and the molecular formula is C13H26N2, Application In Synthesis of 1761-71-3.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Sun, Xiaoyu published the artcileEffect of non-ionic surfactants on the adsorption of polycyclic aromatic compounds at water/oil interface: A molecular simulation study, Product Details of C13H26N2, the publication is Journal of Colloid and Interface Science (2021), 766-777, database is CAplus and MEDLINE.

Mol. simulations can provide unique insights into the adsorption and intermol. interactions of polycyclic aromatic compounds (PACs) and non-ionic surfactants at water/oil interface. Mol. dynamic simulations were performed to study the adsorption of PACs at water/oil interface, and the effect of adding non-ionic surfactants. PAC architecture, solvent type, structure and concentration of non-ionic surfactants were varied to address the complex interplay between PAC-surfactant interaction, PAC solubility, and structure-dependent PAC aggregation. PACs with multiple cores (PacM) partially adsorbed on the interface, in the form of small and loosely structured aggregates. Adding non-ionic surfactant Brij-93 induced desorption of PacM at both water/toluene and water/heptane interfaces. Another non-ionic surfactant, (EO)₅(PO)₁₀(EO)₅, also reduced the adsorption of PacM at water/toluene interface but enhanced their adsorption at water/heptane interface. PACs with a single large core strongly adsorbed on both interfaces, forming compact aggregated structures. Adding the two types of non-ionic surfactants did not induce desorption. This work identified two opposite roles of non-ionic surfactants in the adsorption of PACs, namely competition and co-adsorption, and provided useful insights into how the roles of non-ionic surfactants might be affected by their concentration, as well as the solubility and interfacial behaviors of the PACs.

Journal of Colloid and Interface Science published new progress about 1761-71-3. 1761-71-3 belongs to quinuclidine, auxiliary class Ploymers, name is 4,4-Diaminodicyclohexyl methane, and the molecular formula is C10H20O2, Product Details of C13H26N2.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Novikov, I. N. published the artcileAutoxidation of p-dtcyclohexylbenzene, Formula: C13H16O2, the publication is Doklady Akademii Nauk SSSR (1963), 853-5, database is CAplus.

p-(C₆H₁₁)₂C₆H₄ is easily oxidized by O in the presence of Mn rosinate with or without the presence of a bases [Na₂CO₃, NaOH, (NH₄)₂CO₃]. The maximum concentration of hydroperoxide (56%) was accumulated at 110° in the presence of 6 mg. Mn rosinate/mole of the substrate, along with 2 g./mole Na₂CO₃. Temperatures above 110° tended to give lower yields of the hydroperoxide. The optimum yield was attained at 66% conversion. Higher temperatures gave more rapid consumption of O but lower yields of the hydroperoxide. The latter decomposed vigorously above 150°. Kinetic curves for typical runs are shown. Treatment of the reaction mixture with EtOH and cooling gave the recovered substrate, while the filtrate after being concentrated and treated with petr. ether gave p-C₆H₄[C₆H₁₁– OOH]₂, m. 131-2° (with H₂SO₄ this gave hydroquinone), while the filtrate gave a monohydroperoxide, m. 85-6°, which in the presence of H₂SO₄ in AcOH at 50-60° gave 75% p-cyclohexylphenol and cyclohexanone. The residues after the separation of hydroperoxides also gave some p-C₆H₁₁C₆H₄CO₂H, m. 190-1° (Me ester m. 44-5°).

Doklady Akademii Nauk SSSR published new progress about 20029-52-1. 20029-52-1 belongs to quinuclidine, auxiliary class Carboxylic acid,Benzene, name is 4-Cyclohexylbenzoic acid, and the molecular formula is C13H16O2, Formula: C13H16O2.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Nasyr, I. A. published the artcileSynthesis and autoxidation of methylcyclohexylbenzene, Computed Properties of 20029-52-1, the publication is Ukrainskii Khimicheskii Zhurnal (Russian Edition) (1964), 30(8), 862-7, database is CAplus.

A mixture of cyclohexyltoluenes (30.9:1.8:67.3 o-m-p-, according to chromatographic results), b₅ 103-3.5°, d₂₀ 0.9382, n²⁰_D 1.5242, was prepared by slow addition of cyclohexene to a mixture of PhMe and H₃PO₄ containing BF₃ at 20°. The optimum amounts were 1 part C₆H₁₀, 3-5 parts PhMe, and 0.3 part catalyst containing 35-55% BF₃ in excess of BF₃.H₃PO₄. Graphs were given of the rate of accumulation of hydroperoxide on air oxidation in the presence of Mn resinate at various temperatures and for various additions of base. Base accelerated the reaction; Na₂CO₃ was especially active, more so than NaOH. The concentration of hydroperoxide passed through a maximum, then fell to 0 as the oxidation continued. The reaction product contained 69.3% unreacted cyclohexyltoluenes, 1.2% x-MeC₆H₄OH, 2.8% p-cyclohexylbenzaldehyde, (b₂ 132-7°, d₂₀ 1.0302, n²⁰_D 1.5425; 2,4-dinitrophenylhydrazone m. 226-7°), 9.7% acids [(p-cyclohexylbenzoic m. 196°; Me ester m. 48-9°)(p-MeC₆H₄CO(CH₂)₄CO₂H m. 153-4°; 2,4-dinitrophenylhydrazone m. 152-3°) (p-MeC₆H₄CO₂H) [p-C₆H₄(CO₂H₂]]. These structures could be accounted for by oxidation at either or both of the benzylic positions.

Ukrainskii Khimicheskii Zhurnal (Russian Edition) published new progress about 20029-52-1. 20029-52-1 belongs to quinuclidine, auxiliary class Carboxylic acid,Benzene, name is 4-Cyclohexylbenzoic acid, and the molecular formula is C13H16O2, Computed Properties of 20029-52-1.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Zhang, Jie published the artcileSulfur Conversion to Multifunctional Poly(O-thiocarbamate)s through Multicomponent Polymerizations of Sulfur, Diols, and Diisocyanides, Formula: C13H26N2, the publication is Journal of the American Chemical Society (2021), 143(10), 3944-3950, database is CAplus and MEDLINE.

Sulfur, which is generated from the waste byproducts in the oil and gas refinery industry, is an abundant, cheap, stable, and readily available source in the world. However, the utilization of excessive amounts of sulfur is mostly limited, and developing novel methods for sulfur conversion is still a global concern. Here, the authors report a facile one-step conversion from elemental sulfur to functional poly(O-thiocarbamate)s through a multicomponent polymerization of sulfur, diols, and diisocyanides, which possesses a series of advantages such as mild condition (55°C), short reaction time (1 h), 100% atom economy, and without any transition metal in the catalyst system. Seven poly(O-thiocarbamate)s are constructed with high yields (up to 95%), large mol. weight (up to 53100 of M_w), good solubility in organic solvents, and completely new polymer structures. The poly(O-thiocarbamate)s possess a high refractive index above 1.7 from 600 to 1700 nm by adjusting the sulfur content. By incorporating tetraphenylethene (TPE) moieties into the polymer structure, the poly(O-thiocarbamate)s can also be designed as fluorescent sensors to detect the harmful metal cation Hg²⁺ in a turn-on mode with high sensitivity (LOD = 32 nM) and excellent selectivity (over interference cations of Pb²⁺, Au³⁺, Ag⁺). Different from the previous reports, the exact coordination structure is first identified by single-crystal X-ray diffraction, which revealed a tetracoordinated bonding mode (two sulfur and two chloride) using a model coordination compound

Journal of the American Chemical Society published new progress about 1761-71-3. 1761-71-3 belongs to quinuclidine, auxiliary class Ploymers, name is 4,4-Diaminodicyclohexyl methane, and the molecular formula is C6H12Br2, Formula: C13H26N2.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Xu, Guoyan G. published the artcileExploration on natural product anibamine side chain modification toward development of novel CCR5 antagonists and potential anti-prostate cancer agents, Application In Synthesis of 20029-52-1, the publication is Bioorganic & Medicinal Chemistry Letters (2015), 25(17), 3721-3725, database is CAplus and MEDLINE.

Prostate cancer is one of the leading causes of death among males in the world. Prostate cancer cells have been shown to express upregulated chemokine receptor CCR5, a G protein-coupled receptor (GPCR) that relates to the inflammation process. Anibamine, a natural product containing a pyridine ring and two aliphatic side chains, was shown to carry a binding affinity of 1 μM at CCR5 as an antagonist with potential anticancer activity. However, it is not drug-like according to the Lipinski’s rule of five mainly due to its two long aliphatic side chains. In the effort to improve its drug-like property, a series of anibamine derivatives were designed and synthesized by placement of aromatic side chains through an amide linkage to the pyridine ring. The newly synthesized compounds were tested for their CCR5 affinity and antagonism, and potential antiproliferation activity against prostate cancer cell lines. Basal cytotoxicity was finally studied for compounds showing potent antiproliferation activity. It was found that compounds with hydrophobic substitutions on the aromatic systems seemed to carry more promising CCR5 binding and prostate cancer cell proliferation inhibition activities.

Bioorganic & Medicinal Chemistry Letters published new progress about 20029-52-1. 20029-52-1 belongs to quinuclidine, auxiliary class Carboxylic acid,Benzene, name is 4-Cyclohexylbenzoic acid, and the molecular formula is C7H11N, Application In Synthesis of 20029-52-1.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Lai, Chiu-Chun published the artcileSynthesis and properties of low-crystallinity nylon 6 with high transparency and low hygroscopicity containing adipic acid, Safety of 4,4-Diaminodicyclohexyl methane, the publication is Modern Physics Letters B (2020), 34(7/9), 2040005, database is CAplus.

In this research, a series of amorphous nylons 6 were prepared by introducing adipic acid and different structure amines into the copolymerization with caprolactam. The effects including thermal properties, crystallinity, dynamic mech. properties, optical properties, and water absorption of different copolymerization structure and copolymerization ratio on the properties of nylon 6 were investigated. The results show the m.p. and thermal cracking temperature Td 5 of nylon 6 are, resp., between 179°C and 217°C and 278°C to 336°C. Nylon 6 structure introducing a Me side chain is more effective than a meta-benzene ring, a meta-cycloalkyl, and bicycloalkyl groups, so CAMM and CAI have the lowest crystallinity.

Modern Physics Letters B published new progress about 1761-71-3. 1761-71-3 belongs to quinuclidine, auxiliary class Ploymers, name is 4,4-Diaminodicyclohexyl methane, and the molecular formula is C13H26N2, Safety of 4,4-Diaminodicyclohexyl methane.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Fan, Zhengning published the artcileVisible-Light-Induced Catalyst-Free Carboxylation of Acylsilanes with Carbon Dioxide, Quality Control of 20029-52-1, the publication is Organic Letters (2021), 23(6), 2303-2307, database is CAplus and MEDLINE.

Intermol. carbon-carbon bond formation between acylsilanes and carbon dioxide (CO₂) was achieved by photoirradiation under catalyst-free conditions. In this reaction, siloxycarbenes generated by photoisomerization of the acylsilanes added to the C=O bond of CO₂ to give α-ketocarboxylates, which underwent hydrolysis to afford α-ketocarboxylic derivatives in good yields. Control experiments suggest that the generated siloxycarbene is likely to be from the singlet state (S₁) of the acylsilane and the addition to CO₂ is not in a concerted manner.

Organic Letters published new progress about 20029-52-1. 20029-52-1 belongs to quinuclidine, auxiliary class Carboxylic acid,Benzene, name is 4-Cyclohexylbenzoic acid, and the molecular formula is C13H16O2, Quality Control of 20029-52-1.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Fong, Darryl published the artcileDecoration of Polyfluorene-Wrapped Carbon Nanotubes via Strain-Promoted Azide-Alkyne Cycloaddition, Safety of Dbco-acid, the publication is Macromolecules (Washington, DC, United States) (2018), 51(3), 755-762, database is CAplus.

Developing methodologies that can efficiently decorate carbon nanotube surfaces with various mol. structures while avoiding damage to nanotube optoelectronic properties is an ongoing challenge. Here, we outline a methodol. to perform chem. on the nanotube surface without perturbing optoelectronic properties. Reactive, noncovalently functionalized polymer-nanotube complexes were prepared using polyfluorene with azide groups in its side chains. The azides enable strain-promoted azide-alkyne cycloaddition to occur between polymer-nanotube complexes and small mols. or polymers derivatized with a strained cyclooctyne. This reaction was found to occur efficiently at room temperature, without any catalyst or byproduct removal required. The reaction was monitored by IR spectroscopy via the disappearance of the polymer azide stretch at ∼2090 cm^-1, and this chem. resulted in no damage to the nanotube sidewall, as evidenced by Raman spectroscopy. The azide-containing polyfluorene was used to prepare an enriched dispersion of semiconducting carbon nanotubes in organic media, which could then be redispersed in aqueous solution post-click with strained cyclooctyne-functionalized poly(ethylene glycol). Taking advantage of the ability to preserve optoelectronic properties, solvatochromism of an identical subset of semiconducting carbon nanotubes was studied using absorption, fluorescence, and Raman spectroscopy. It was found that, in aqueous media, fluorescence was nonuniformly quenched among the different semiconducting species and that there was a significant red-shift in the emission of all nanotubes in D₂O relative to nonpolar toluene.

Macromolecules (Washington, DC, United States) published new progress about 1353016-70-2. 1353016-70-2 belongs to quinuclidine, auxiliary class Other Aromatic Heterocyclic,Carboxylic acid,Amide,Inhibitor,Inhibitor, name is Dbco-acid, and the molecular formula is C19H15NO3, Safety of Dbco-acid.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider