Tag: M.W=100-150

Li, Xiang; Jin, Jianbo; Chen, Pinhong; Liu, Guosheng published the artcile< Catalytic remote hydrohalogenation of internal alkenes>, Reference of 3796-23-4, the main research area is primary alkyl halide preparation palladium catalyst; terminal internal alkene hydrohalogenation.

Abstract: Primary alkyl halides have broad utility as fine chems. in organic synthesis. The direct halogenation of alkenes is one of the most efficient approaches for the synthesis of these halides. Internal alkenes, in particular mixtures of isomers from refineries, constitute readily available and inexpensive feedstock and are the most attractive starting materials for this synthesis. However, the hydrohalogenation of alkenes generally affords branched alkyl halides; there are no catalytic methods to prepare linear alkyl halides directly from internal alkenes, let alone from a mixture of alkene isomers. Here a report the remote oxidative halogenation of alkenes under palladium catalysis via which both terminal and internal alkenes yield primary alkyl halides efficiently. Engineering pyridine-oxazoline ligands by introducing a hydroxyl group is essential for achieving excellent chemo- and regioselectivity. The catalytic system is also good for the mixture of alkene isomers generated from dehydrogenation of alkanes, providing a window to investigate the high-value utilization of inexpensive alkanes.

Nature Chemistry published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, Reference of 3796-23-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Moi, Rajib; Nath, Karabi; Biradha, Kumar published the artcile< Tailoring Coordination Polymers by Substituent Effect: A Bifunctional CoII-Doped 1D-Coordination Network with Electrochemical Water Oxidation and Nitroaromatics Sensing>, SDS of cas: 3731-53-1, the main research area is cadmium trispyridinylmethylbenzenetricarboxamide isophthalato complex preparation fluorescence catalyst electrochem; crystal structure cadmium trispyridinylmethylbenzenetricarboxamide isophthalato complex; Coordination polymer; fluorescence; nitroaromatic compounds; sensing; water oxidation.

Three CdII coordination polymers (CPs) were synthesized with a tripodal ligand N,N’,N’ ‘-tris(4-pyridinylmethyl)-1,3,5-benzenetricarboxamide in combination with three different substituted isophthalic acids {[Cd2(L)(NIP)2(H2O)2].4H2O}n, (CP-1), {[Cd2(L)(AIP)2(H2O)2].4H2O}n, (CP-2) and {[Cd(L)(BIP) (H2O)].4H2O}n, (CP-3). The substituent groups on the co-ligand had profound effect on the network topologies of the corresponding CPs as well as their properties. Out of the three, CP-1 and CP-2 form 3-dimensional networks whereas CP-3 was a 1-dimensional linear chain with uncoordinated pyridyl sites. Due to its structural features CP-3 was found to show interesting properties. The 1-dimensional CP containing uncoordinated pyridyl site exhibited an excellent ability for doping with CoII which in turn acts as an efficient water oxidation electrocatalyst with required overpotential of 380 mV for an anodic c.d. of 1 mA cm-2. The CP also exhibited luminescence-based detection of nitroaroms. (LOD: 0.003 mM) without any significant interference in presence of other organic compounds

Chemistry – An Asian Journal published new progress about Coordination polymers Role: ARG (Analytical Reagent Use), CAT (Catalyst Use), PEP (Physical, Engineering or Chemical Process), PRP (Properties), SPN (Synthetic Preparation), ANST (Analytical Study), USES (Uses), PROC (Process), PREP (Preparation). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, SDS of cas: 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rocco, Dalila; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. published the artcile< Switching conformation of 3,2':6',3''-tpy domains in 4'-(4-n-alkyloxyphenyl)-3,2':6',3''-terpyridines>, Recommanded Product: 1-(Pyridin-3-yl)ethanone, the main research area is terpyridine preparation crystal structure conformation; 3,2′:6′,3″-terpyridine; conformation; crystal structure; intermolecular interactions.

The preparation and characterization of 4′-(4-n-octyloxyphenyl)-3,2′:6′,3”-terpyridine (8) and 4′-(4-n-nonyloxyphenyl)-3,2′:6′,3”-terpyridine (9) are reported. The single crystal structures of 4′-(4-n-hexyloxyphenyl)-3,2′:6′,3”-terpyridine (6), 4′-(4-n-heptyloxyphenyl)-3,2′:6′,3”-terpyridine (7), and compounds 8 and 9 have been determined The conformation of the 3,2′:6′,3”-tpy unit is trans,trans in 6 and 7, but switches to cis,trans in 8 and 9. This is associated with significant changes in the packing interactions with a more dominant role for van der Waals interactions between adjacent n-alkyloxy chains and C-Hmethylene··· π interactions in 8 and 9. The solid-state structures of 6 and 7 with the n-hexyloxy and n-heptyloxy chains feature interwoven sheets of supramol. assemblies of mols., with pairs of n-alkyloxy chains threaded through cavities in an adjacent sheet.

Molecules published new progress about Conformation. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Recommanded Product: 1-(Pyridin-3-yl)ethanone.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Yang, Wenjun; Chernyshov, Ivan Yu.; van Schendel, Robin K. A.; Weber, Manuela; Mueller, Christian; Filonenko, Georgy A.; Pidko, Evgeny A. published the artcile< Robust and efficient hydrogenation of carbonyl compounds catalysed by mixed donor Mn(I) pincer complexes>, Application In Synthesis of 350-03-8, the main research area is alc preparation; carbonyl compound hydrogenation manganese catalyst.

A highly efficient Mn(I)-CNP pre-catalyst I which gives rise to the excellent productivity (TOF° up to 41 000 h-1) and stability (TON up to 200 000) in hydrogenation catalysis was reported. This system enables near-quant. hydrogenation of ketones RC(O)R1 (R = Ph, 2,3-dihydro-1,4-benzodioxin-6-yl, pentyl, etc.; R1 = Et, Bn, cyclopropyl, etc.; RR1 = -(CH2)5-) and 1,2,3,4-tetrahydronaphthalen-1-one, imines 4-R2C6H4N=CHC6H5 (R2 = H, Br, OMe), aldehydes R3CHO [R3 = Ph, 4-(dimethylamino)phenyl, 4-(benzyloxy)phenyl, furan-2-yl] and formate esters R4OC(O)H (R4 = hexyl, pentyl, 3-methylbutyl) at the catalyst loadings as low as 5-200 p.p.m. The anal. points to the crucial role of the catalyst activation step for the catalytic performance and stability of the system. While conventional activation employing alkoxide bases can ultimately provide catalytically competent species under hydrogen atm., activation of Mn(I) pre-catalyst I with hydride donor promoters, e.g., KHBEt3, dramatically improves catalytic performance of the system and eliminates induction times associated with slow catalyst activation.

Nature Communications published new progress about Alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Application In Synthesis of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Haixia; Robl, Jeffrey A.; Hamann, Lawrence G.; Simpkins, Ligaya; Golla, Rajasree; Li, Yi-Xin; Seethala, Ramakrishna; Zvyaga, Tatyana; Gordon, David A.; Li, James J. published the artcile< Generation of 3,8-substituted 1,2,4-triazolopyridines as potent inhibitors of human 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD-1)>, Category: pyridine-derivatives, the main research area is triazolopyridine derivative inhibitor human hydroxysteroid dehydrogenase.

A series of pyridyl amide/sulfonamide inhibitors of 11β-HSD-1 were modified to incorporate a novel 1,2,4-triazolopyridine scaffold. Optimization of substituents at the 3 and 8 position of the TZP core, with a special focus on enhancing metabolic stability, resulted in the identification of compound 38 as a potent and metabolically stable inhibitor of the enzyme.

Bioorganic & Medicinal Chemistry Letters published new progress about Antidiabetic agents. 131747-55-2 belongs to class pyridine-derivatives, and the molecular formula is C6H6FNO, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Guo, Yu; Wang, Ruo-Ya; Kang, Jia-Xin; Ma, Yan-Na; Xu, Cong-Qiao; Li, Jun; Chen, Xuenian published the artcile< Efficient synthesis of primary and secondary amides via reacting esters with alkali metal amidoboranes>, Formula: C7H7NO2, the main research area is primary secondary amide preparation chemoselective; ester sodium amidoborane amidation.

Authors report here a facile synthesis method of primary and secondary amides through a direct amidation of esters with sodium amidoboranes (NaNHRBH3, R = H, Me), at room temperature without using catalysts and other reagents. This process is rapid and chemoselective, and features quant. conversion and wide applicability for esters tolerating different functional groups. The exptl. and theor. studies reveal a reaction mechanism with nucleophilic addition followed by a swift proton transfer-induced elimination reaction.

Nature Communications published new progress about Amidation. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Formula: C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Shipe, William D.; Sharik, Steven S.; Barrow, James C.; McGaughey, Georgia B.; Theberge, Cory R.; Uslaner, Jason M.; Yan, Youwei; Renger, John J.; Smith, Sean M.; Coleman, Paul J.; Cox, Christopher D. published the artcile< Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis>, Application In Synthesis of 56622-54-9, the main research area is pyrimidine derivative PDE10A inhibitor screening discovery preparation structure.

Screening of a fragment library for PDE10A inhibitors identified a low mol. weight pyrimidine hit with PDE10A Ki of 8700 nM and LE of 0.59. Initial optimization by catalog followed by iterative parallel synthesis guided by X-ray cocrystal structures resulted in rapid potency improvements with minimal loss of ligand efficiency. Compound 15h, with PDE10A Ki of 8.2 pM, LE of 0.49, and >5000-fold selectivity over other PDEs, fully attenuates MK-801-induced hyperlocomotor activity after i.p. dosing.

Journal of Medicinal Chemistry published new progress about Antipsychotics. 56622-54-9 belongs to class pyridine-derivatives, and the molecular formula is C7H10N2, Application In Synthesis of 56622-54-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Tsai, Meng-Jung; Luo, Jheng-Hua; Wu, Jing-Yun published the artcile< Two-fold 2D + 2D → 2D interweaved rhombus (4,4) grid: synthesis, structure, and dye removal properties in darkness and in daylight>, Category: pyridine-derivatives, the main research area is pyridinylmethylpyridinyl naphthalimide copper coordination polymer preparation structure rhombus grid.

Compound [Cu(NI-mbpy-44)2(NO3)2]·4H2O (1, NI-mbpy-44 = N-(pyridin-4-ylmethyl)-4-(pyridin-4-yl)-1,8-naphthalimide) adopting a two-dimensional (2D) periodical rhombus (4,4) grid has been synthesized. This grid doubly interweaves in a parallel fashion to result in overall 2D + 2D → 2D networks with approx. 14% sufficient free volumes in which lattice H2O mols. reside. Dye removal studies show that 1 selectively adsorbs anionic methyl orange (MO) and acid orange 7 (AO7) over cationic methylene blue (MB) and malachite green (MG) from aqueous solutions containing single or mixed dyes in darkness at room temperature The exptl. isotherm data were analyzed using linear Langmuir and Freundlich isotherm equations; the results indicated that the Langmuir model showed a better fit for the adsorption of MO and AO7 over 1, with high dark adsorption capacities of 810 and 370 mg g-1, resp., although there could also be other associated mechanisms. The dark adsorption kinetics of MO and AO7 over 1 obeyed the pseudo-second-order kinetic model. Electrostatic attraction appears to be the dominating mechanism for adsorptive removal of MO and AO7 by 1, whereas π-π stacking (MO and AO7) and hydrogen-bonding interactions (AO7) could also be responsible. Exploration of the adsorption performance of MO and AO7, including studying the kinetics in daylight, shows similar results to those obtained in darkness, indicating the negligible influence of daylight on the dye removal. Nevertheless, 1 could liberate NI-mbpy-44 and Cu(II) into water throughout the entire adsorption experiment, which could be a potential environmental hazard, this could cause secondary pollution and mean that 1 is impractical for use as an adsorbent candidate.

Dalton Transactions published new progress about Adsorbents. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Frost, Scott C.; Walker, Paige; Orians, Colin M.; Robbat, Albert Jr. published the artcile< The Chemistry of Green and Roasted Coffee by Selectable 1D/2D Gas Chromatography Mass Spectrometry with Spectral Deconvolution>, Reference of 93-60-7, the main research area is roasted coffee spectral deconvolution gas chromatog mass spectrometry; 2D–GC/MS; GC/MS; coffee; coffee quality; deconvolution; green coffee.

Gas chromatog./mass spectrometry (GC/MS) is a long-standing technique for the anal. of volatile organic compounds (VOCs). When coupled with the Ion Analytics software, GC/MS provides unmatched selectivity in the anal. of complex mixtures and it reduces the reliance on high-resolution chromatog. to obtain clean mass spectra. Here, we present an application of spectral deconvolution, with mass spectral subtraction, to identify a wide array of VOCs in green and roasted coffees. Automated sequential, two-dimensional GC-GC/MS of a roasted coffee sample produced the retention index and spectrum of 750 compounds These initial analytes served as targets for subsequent coffee anal. by GC/MS. The workflow resulted in the quantitation of 511 compounds detected in two different green and roasted coffees. Of these, over 100 compounds serve as candidate differentiators of coffee quality, AAA vs. AA, as designated by the Coopedota cooperative in Costa Rica. Of these, 72 compounds survive the roasting process and can be used to discriminate green coffee quality after roasting.

Molecules published new progress about Gas chromatography. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Reference of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Dallaston, Madeleine A.; Brusnahan, Jason S.; Wall, Craig; Williams, Craig M. published the artcile< Thermal and Sensitiveness Determination of Cubanes: Towards Cubane-Based Fuels for Infrared Countermeasures>, Recommanded Product: 2-Mercaptopyridinen-oxide sodiumsalt, the main research area is cubane fuel IR countermeasure thermal sensitivity determination; Yoshida; cubane; energetic materials; infrared; pyrotechnics.

As IR seeking technol. evolves, threats are better able to distinguish defensive IR flares from true targets. Spectrally matched flares, which generally employ carbon-based fuels, are better able to decoy some advanced missiles by more closely mimicking the IR emission of the target. Cubane is a high-energy carbon-based scaffold which may be suitable for use as a fuel in spectrally matched flares. The enthalpy of formation and strain energy of a series of cubanes was predicted in silico, and their thermal and impact stability examined All were found to undergo highly exothermic decomposition in sealed cell differential scanning calorimetry, and two cubanes subsequently underwent quant. sensitiveness testing. Despite their F of I values being in the secondary explosive range, cubane-1,4-dicarboxylic acid (F of I = 70) and 4-carbamoylcubane-1-carboxylic acid (F of I = 90) were identified as potentially useful fuels for pyrotechnic IR countermeasure flare formulations.

Chemistry – A European Journal published new progress about Explosives. 3811-73-2 belongs to class pyridine-derivatives, and the molecular formula is C5H4NNaOS, Recommanded Product: 2-Mercaptopyridinen-oxide sodiumsalt.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem