Month: December 2022

Guo, Yafei published the artcilePalladium-modified functionalized cyclodextrin as an efficient and recyclable catalyst for reduction of nitroarenes, COA of Formula: C6H3ClFNO2, the publication is RSC Advances (2016), 6(10), 7950-7954, database is CAplus.

A palladium-modified functionalized cyclodextrin (DACH-Pd-β-CD) catalytic system was synthesized and characterised. It showed high catalytic performance in the reduction of different nitroarenes to the corresponding anilines with the presence of sodium borohydride in water at room temperature The yields of the desired products were up to 99%. Furthermore, the catalyst can be easily separated and still could maintain high catalytic activity after five cycles and no leaching of Pd into solution occurred.

RSC Advances published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, COA of Formula: C6H3ClFNO2.

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

Zhou, Yan published the artcileDesign, synthesis, and evaluation of dihydropyranopyrazole derivatives as novel PDE2 inhibitors for the treatment of Alzheimer’s disease, HPLC of Formula: 939-99-1, the publication is Molecules (2021), 26(10), 3034, database is CAplus and MEDLINE.

In this study, (R)-LZ77 was obtained as a hit compound with moderate PDE2 inhibitory activity (IC₅₀ = 261.3 nM) using a high-throughput virtual screening method based on mol. dynamics. Then, 28 dihydropyranopyrazole derivatives I [R¹ = H, CH₃O, Cl; R² = H, CH₃, CH₃O, etc.; R³ = H, CH₃, C₆H₅; R⁴ = H, CH₃O, Cl, etc; R⁵ = NH₂, (CH₃)₂N; n = 1, 2, 3] and II [R⁶ = Cl, CF₃; n = 0, 2, 3] were designed and synthesized as PDE2 inhibitors. Among them, compound (+)-I [R¹ = H; R² = CH₃O; R³ = CH₃; R⁴ = CF₃; R⁵ = NH₂; n = 1] was the most potent PDE2 inhibitor, with an IC₅₀ value of 41.5 nM. The mol. docking of PDE2-(+)-I [R¹ = H; R² = CH₃O; R³ = CH₃; R⁴ = CF₃; R⁵ = NH₂; n = 1] revealed that the 4-(trifluoromethyl)benzyloxyl side chain of the compound enters the H-pocket and forms strong hydrophobic interactions with L770/L809/F862, which improves inhibitory activity. The above results may provide insight for further structural optimization of highly potent PDE2 inhibitors and may lay the foundation for their use in the treatment of AD.

Molecules published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C4H3ClN2O, HPLC of Formula: 939-99-1.

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

Gao, Yadong published the artcileDirect synthesis of annulated indoles through palladium-catalyzed double alkylations, HPLC of Formula: 23616-79-7, the publication is Organic Chemistry Frontiers (2020), 7(9), 1149-1157, database is CAplus.

A facile, one-step synthesis of annulated indoles I [R = H, 2-Me, 7-F, etc.; R¹ = H, Me, Ph, etc.; n = 1,2,3] and II [R² = H; R²R³ = (CH₂)₄, (CH₂)₃CH(Me), (CH₂)₂NPh(CH₂)₂, etc.; R⁴ = H, 2-CN, 6-NO₂, etc.; R⁵ = H; R³R⁵ = (CH₂)₂NPh(CH₂)₂] from (N-H) indoles and dibromoalkanes was developed through a palladium-catalyzed double alkylation process. The reaction proceeded through a palladium-catalyzed norbornene-mediated C2-alkylation of indoles and subsequent regioselective cyclization. The detailed reaction mechanism was investigated by key intermediate experiments, NMR spectroscopic analyses and DFT calculations The results of a preliminary mechanistic study showed a catalytic cycle consisting of initial C2-alkylation of indoles that is followed by N-alkylation or palladium promoted intramol. C3-nucleophilic substitution to yield, resp., [a]- or [b]-annulated indoles.

Organic Chemistry Frontiers published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, HPLC of Formula: 23616-79-7.

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

Xiao, Yulong published the artcileDesign, Synthesis, and Antifungal Activity of Sulfoximine Derivatives Containing Nitroguanidine Moieties, HPLC of Formula: 939-99-1, the publication is Chemistry & Biodiversity (2022), 19(3), e202100839, database is CAplus and MEDLINE.

To discover novel pesticide candidates, a series of sulfoximine derivatives were designed and synthesized via the oxidation coupling reaction of sulfides and N-alkyl nitroguanidines. The compounds were evaluated for their antifungal activity against six phytopathogenic fungi. Most of them exhibited a broad spectrum of fungicidal activity in vitro. Compound 8IV-b displayed good fungicidal activity against Sclerotinia sclerotiorum, Rhizoctonia solani, Botrytis cinerea, Fusarium graminearum, and Phytophthora capsici, with EC50 value of 12.82, 12.50, 17.25, 31.08, and 30.11 mg/L, resp. In addition, compounds 8III-c and 8IV-e had EC50 values of 22.23 and 20.67 mg/L against P. capsic, which were significantly better than that of the com. procymidone (118.15 mg/L). Strikingly, 8IV-d exhibited satisfactory fungicidal activity against B. cinerea, which was comparable to control procymidone in terms of their EC50 values (7.42 vs. 10.83 mg/L), and the bioassays in vivo further confirmed that 8IV-d possessed potent protective effect against B. cinerea at 200 mg/L (72.2 %). These present findings will facilitate the design and development of novel potent fungicides.

Chemistry & Biodiversity published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C10H18BNO2, HPLC of Formula: 939-99-1.

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

Xiao, Yulong published the artcileDesign, Synthesis, and Antifungal Activity of Sulfoximine Derivatives Containing Nitroguanidine Moieties, Name: 3-Chlorobenzylchloride, the publication is Chemistry & Biodiversity (2022), 19(3), e202100839, database is CAplus and MEDLINE.

To discover novel pesticide candidates, a series of sulfoximine derivatives were designed and synthesized via the oxidation coupling reaction of sulfides and N-alkyl nitroguanidines. The compounds were evaluated for their antifungal activity against six phytopathogenic fungi. Most of them exhibited a broad spectrum of fungicidal activity in vitro. Compound 8IV-b displayed good fungicidal activity against Sclerotinia sclerotiorum, Rhizoctonia solani, Botrytis cinerea, Fusarium graminearum, and Phytophthora capsici, with EC50 value of 12.82, 12.50, 17.25, 31.08, and 30.11 mg/L, resp. In addition, compounds 8III-c and 8IV-e had EC50 values of 22.23 and 20.67 mg/L against P. capsic, which were significantly better than that of the com. procymidone (118.15 mg/L). Strikingly, 8IV-d exhibited satisfactory fungicidal activity against B. cinerea, which was comparable to control procymidone in terms of their EC50 values (7.42 vs. 10.83 mg/L), and the bioassays in vivo further confirmed that 8IV-d possessed potent protective effect against B. cinerea at 200 mg/L (72.2 %). These present findings will facilitate the design and development of novel potent fungicides.

Chemistry & Biodiversity published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C65H82N2O18S2, Name: 3-Chlorobenzylchloride.

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

Li, Chengxi published the artcileChemo- and regioselective defluorinative annulation of (trifluoromethyl)alkenes with pyrazolones: synthesis and insecticidal activity of 6-fluoro-1,4-dihydropyrano[2,3-c]pyrazoles, Safety of 1,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene, the publication is Organic Chemistry Frontiers (2022), 9(17), 4692-4698, database is CAplus.

The chemo- and regioselective defluorinative [3 + 3] annulation of (trifluoromethyl)alkenes and pyrazolones was reported that gives rise to various useful 6-fluoro-1,4-dihydropyrano[2,3-c]pyrazoles I [R = Ph, 4-MeC₆H₄, 4-ClC₆H₄, etc.; R¹ = Ph, 3-MeC₆H₄, 4-ClC₆H₄, etc.; R² = Me, Et, Bn, etc.] in high yields. This reaction distinguished the different nucleophilic sites of pyrazolones and featured mild conditions, a broad substrate scope, and gram-scalability. A simple derivation of the obtained 6-fluoro-1,4-dihydropyrano[2,3-c]pyrazoles efficiently afforded diverse useful compounds Significantly, compound I [R = 4-F₃CC₆H₄, R¹ = 2-ClC₆H₄, R² = Me] exhibited up to 100% insecticidal activity against Plutella xylostella, which was a destructive pest worldwide. Mechanism studies indicated that this reaction proceeded via a chemo- and regioselective S_N2’/S_NV pathway and that the double defluorinative alkylation of pyrazolones with (trifluoromethyl)alkenes was completely inhibited.

Organic Chemistry Frontiers published new progress about 864725-22-4. 864725-22-4 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Alkenyl,Benzene, name is 1,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene, and the molecular formula is C9H5Cl2F3, Safety of 1,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene.

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

He, Zhi-Tao published the artcileTrimethylphosphate as a Methylating Agent for Cross Coupling: A Slow-Release Mechanism for the Methylation of Arylboronic Esters, COA of Formula: C13H17BCl2O2, the publication is Journal of the American Chemical Society (2018), 140(49), 17197-17202, database is CAplus and MEDLINE.

Tri-Me phosphate acted as an effective source of Me groups; in the presence of CuI, and LiI, (MeO)₃P(:O) underwent chemoselective coupling with arylpinacolboronates mediated by LiOt-Bu in 1,3-dimethylimidazolidin-2-one (DMI) to yield methylarenes in higher yields than related coupling reactions using either Me iodide or Me tosylate. The methylation reaction was used in tandem with iridium-catalyzed regioselective borylation with bis(pinacolato)diboron to provide a one-pot methylation reaction for arenes, and for trideuteromethylation of arylpinacoboronates using tris(trideuteromethyl) phosphate. The chemoselectivity of the reaction was tested using additives possessing various functional groups (robustness screen); unprotected amines, alcs., and amides and terminal alkynes were not tolerated. The methylation of 1-naphthylpinacolboronate was demonstrated on a 200 mmol scale. The kinetics of the methylation and its dependence on Li⁺ and I^– ions was determined and a mechanism suggested. Me iodide is released slowly upon reaction of tri-Me phosphate with iodide; the low concentration of MeI enables selective reaction with arylcopper intermediates generated from the arylboronate rather than with other nucleophiles, while binding of tert-butoxide to the pinacolboronate reactants inhibits reaction of MeI with tert-butoxide.

Journal of the American Chemical Society published new progress about 942069-73-0. 942069-73-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronate Esters,Boronic Acids,Boronic acid and ester, name is 2-(3,5-Dichloro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C13H17BCl2O2, COA of Formula: C13H17BCl2O2.

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

Zhu, Chen published the artcileElusive Metal-Free Primary Amination of Arylboronic Acids: Synthetic Studies and Mechanism by Density Functional Theory, Related Products of chlorides-buliding-blocks, the publication is Journal of the American Chemical Society (2012), 134(44), 18253-18256, database is CAplus and MEDLINE.

Herein the authors disclose the first metal-free synthesis of primary aromatic amines from arylboronic acids, a reaction that has eluded synthetic chemists for decades. This remarkable transformation affords structurally diverse primary arylamines in good chem. yields, including a variety of halogenated primary anilines that often cannot be prepared via transition-metal-catalyzed amination. The reaction is operationally simple, requires only a slight excess of aminating agent [O-(2,4-dinitrophenyl)hydroxylamine], proceeds under neutral or basic conditions, and, importantly, can be scaled up to provide multigram quantities of primary anilines. D. functional calculations reveal that the most likely mechanism involves a facile 1,2-aryl migration, and that the presence of an ortho nitro group in the aminating agent plays a critical role in lowering the free energy barrier of the 1,2-aryl migration step.

Journal of the American Chemical Society published new progress about 209919-30-2. 209919-30-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is 4-Chloro-2-methylphenylboronic acid, and the molecular formula is C14H10N2O, Related Products of chlorides-buliding-blocks.

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

Song, Weiguo published the artcileDevelopment of Improved Materials for Environmental Applications: Nanocrystalline NaY Zeolites, Application of Dichloro(methyl)(octyl)silane, the publication is Environmental Science and Technology (2005), 39(5), 1214-1220, database is CAplus and MEDLINE.

Two nanocrystalline NaY samples were synthesized with Si/Al ratios of 1.8 and crystal sizes of 23 and 50 nm, resp. The synthesized NaY zeolites were characterized by powder X-ray diffraction, SEM, nitrogen adsorption isotherms, silicon solid-state magic angle spinning NMR and FTIR spectroscopy. A com. NaY sample was analogously characterized for comparison with the synthesized nanocrystalline NaY. FTIR spectroscopy of adsorbed pyridine was used to elucidate the adsorption sites on the different NaY samples. More Bronsted acid sites and more silanol sites were detected on the nanocrystalline NaY zeolites, relative to the com. NaY. The nanocrystalline NaY exhibited increased adsorption capacities for representative pollutant mols., such as toluene (�0%) and nitrogen dioxide (�0%), relative to com. NaY. Functionalization of nanocrystalline NaY was examined as a method for tailoring the properties of nanocrystalline zeolites for specific environmental applications through the control of zeolite properties, such as hydrophobicity.

Environmental Science and Technology published new progress about 14799-93-0. 14799-93-0 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(methyl)(octyl)silane, and the molecular formula is C7H7ClN2S, Application of Dichloro(methyl)(octyl)silane.

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

Li, Wen-xiao published the artcileA study on preparing 3-chloro-4-fluoroaniline by hydrogenation, Formula: C6H3ClFNO2, the publication is Ranliao Yu Ranse (2014), 51(6), 35-39, database is CAplus.

The compound 3-chloro-4-fluoro aniline synthesized from 3-chloro-4-fluoride nitrobenzene with catalyst Pt-Cu-S/C by low-pressure hydrogenation was studied. The performances of the catalyst for hydrogenation of 3-chloro-4-fluoro nitrobenzene were investigated, and probed into the main factors influencing the hydrogenation. Experiments showed that the catalyst has high catalytic activity and selectivity. In conditions of mass fraction of Pt in the catalyst 1%, mass fraction of Cu in the catalyst 0.1%, the mass fraction of S in the catalyst 0.03%, catalyst amount 0.5% (in weight of nitro compound), the amount of solvent 2 mL ethanol/1 g nitro compounds, the reaction temperature 80°C, pressure 1.5 MPa, yield of 3-chloro-4-fluoro aniline was 98%, purity more than 99.5%.

Ranliao Yu Ranse published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Formula: C6H3ClFNO2.

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