Category: benzodioxans

An article Theoretical and computational insight into the supramolecular assemblies of Schiff bases involving hydrogen bonding and C-H center dot center dot center dot pi interactions: Synthesis, X-ray characterization, Hirshfeld surface analysis, anticancer activity and molecular docking analysis WOS:000694717600005 published article about DENSITY-FUNCTIONAL THEORY; HOMO-LUMO ANALYSES; COORDINATION-COMPLEXES; FT-RAMAN; THERMODYNAMIC FUNCTIONS; CRYSTAL-STRUCTURE; SIGMA-HOLE; RECEPTORS; DFT; ASSOCIATION in [Andleeb, Hina; Hameed, Shahid] Quaid I Azam Univ, Dept Chem, Islamabad 45320, Pakistan; [Andleeb, Hina; Danish, Lubna; Munawar, Shiza] Int Islamic Univ, Fac Basic & Appl Sci, Sulaiman Bin Abdullah Aba Al Khail Ctr Interdisci, Islamabad, Pakistan; [Ahmed, Muhammad Naeem] Univ Azad Jammu & Kashmir, Dept Chem, Muzaffarabad 13100, Pakistan; [Khan, Imtiaz; Ali, Hafiz Saqib] Univ Manchester, Dept Chem, 131 Princess St, Manchester M1 7DN, Lancs, England; [Khan, Imtiaz; Ali, Hafiz Saqib] Univ Manchester, Manchester Inst Biotechnol, 131 Princess St, Manchester M1 7DN, Lancs, England; [Tahir, Muhammad Nawaz] Univ Sargodha, Dept Phys, Sargodha, Pakistan; [Simpson, Jim] Univ Otago, Dept Chem, POB 56, Dunedin 9054, New Zealand in 2021.0, Cited 114.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6. Formula: C8H7NO3

The present study examines the significance of various non-covalent interactions in the supramolecular assembly of (E)-1-(1-(4-nitrophenyl)ethylidene)-2-phenylhydrazine 1c and (E)-3-bromo-N’-(1-phenylethylidene)benzohydrazide 2d. The synthesized compounds were fully characterized by spectroscopic methods and single crystal X-ray diffraction analysis. The topology of the supramolecular assemblies was controlled by various non-covalent interactions including classical hydrogen bonding, C-H center dot center dot center dot pi and Br center dot center dot center dot Br interactions which were examined in detail using several theoretical methods and DFT calculations. The optimized geometric parameters of compounds 1c and 2d were calculated using density functional theory (DFT/B3LYP) quantum chemical method with the 6-311++G(d,p) basis set using the crystallographic coordinates. Additionally, fragments contributing to the HOMO and LUMO molecular orbitals were investigated at the same level of theory. The nature and various types of intermolecular interactions in the crystal structures was also investigated by Hirshfeld surface analysis. The synthesized Schiff bases were also studied for their potential as drugs and physicochemical properties. Bioevaluation against four cancer cell lines (NCI-H460, NCI-H460/Bcl-2, MDA-MB-231 and MCF-7) showed that compound 1c was a more potent inducer of toxicity compared to 2d. The putative binding modes of the bioactive Schiff bases were investigated using molecular docking tools and the results revealed that both the inhibitors were stabilized in the active pocket of the enzyme via the formation of various interactions with the key amino acid residues. (C) 2021 Elsevier B.V. All rights reserved.

Welcome to talk about 100-19-6, If you have any questions, you can contact Andleeb, H; Danish, L; Munawar, S; Ahmed, MN; Khan, I; Ali, HS; Tahir, MN; Simpson, J; Hameed, S or send Email.. Formula: C8H7NO3

Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem

Authors Singh, S; Prakash, R; Dua, N; Sharma, C; Pundeer, R in WILEY-V C H VERLAG GMBH published article about ONE-POT SYNTHESIS; BOND FORMATION REACTION; C-C; FACILE SYNTHESIS; CATALYST-FREE; DERIVATIVES; INHIBITORS; EFFICIENT; ANTIBACTERIAL; NITRILES in [Singh, Sushma; Prakash, Richa; Pundeer, Rashmi] Kurukshetra Univ, Dept Chem, Kurukshetra 136119, Haryana, India; [Dua, Neha] Indian Inst Technol Roorkee, Dept Chem, Haridwar 247667, Uttarakhand, India; [Sharma, Chetan] Kurukshetra Univ, Dept Microbiol, Kurukshetra 136119, Haryana, India in 2019.0, Cited 46.0. Name: 1-(4-Nitrophenyl)ethanone. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6

The present work is aimed to report several new synthetically and medicinally important pyrazole derivatives. Herein, a series of new 3-amino-4-((3-aryl-1-phenyl-1H-pyrazol-4-yl) methylene)-1H-pyrazol-5(4H)-ones (4) were synthesized by the reaction of ethyl 2-cyano-3-(3-aryl-1-phenyl-1H-pyrazol-4-yl) acrylates (3) and hydrazine hydrate in good yields. All the fourteen compounds (3 and 4) were evaluated for the in vitro antibacterial activity against, Staphylococcus aureus and Bacillus subtilis (Gram Positive), Escherichia coli and Pseudomonas aeruginosa (Gram negative) and the antifungal activity against Candida albicans and Saccharomyces cerevisiae. The tested compounds were found to be active against both the Gram positive strains.

Name: 1-(4-Nitrophenyl)ethanone. Welcome to talk about 100-19-6, If you have any questions, you can contact Singh, S; Prakash, R; Dua, N; Sharma, C; Pundeer, R or send Email.

Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem

Safety of 1-(4-Nitrophenyl)ethanone. In 2019.0 J ORG CHEM published article about HENRY NITROALDOL REACTIONS; ORGANIC-SYNTHESIS; ENANTIOSELECTIVE CONSTRUCTION; CONDENSATION; DERIVATIVES; ALDEHYDES in [Han, Jinsong; Zhang, Jin-Lei; Zhang, Wei-Qiang; Gao, Ziwei; Xu, Li-Wen; Jian, Yajun] Shaanxi Normal Univ, Sch Chem & Chem Engn, MOE, Key Lab Appl Surface & Colloid Chem, Xian 710062, Shaanxi, Peoples R China; [Xu, Li-Wen] Hangzhou Normal Univ, Minist Educ, Key Lab Organosilicon Chem & Mat Technol, Hangzhou 310012, Zhejiang, Peoples R China in 2019.0, Cited 38.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6.

On water catalytic aldol reaction catalyzed by polyetheramine (D230) has been developed for easy access to 3-substituted 3-hydroxyindolin-2-ones through the reaction between various substituted isatins and acetophenones/cyclic ketones in high yields under room temperature. Systematic mechanism investigation uncovers the secret for the on water catalytic aldol reaction: comparison of the heterogeneous and homogeneous reaction circumstances with yields of 95 and 20%, respectively, indicates the on-water reaction dominating; interfacial hydrogen bonding between isatin with H2O is tested based on the downfield shift of the C2 and C3’s C-13 NMR signals when water was added to the CDCl3 solution of isatin; Lewis base polyetheramine D230 catalyzes the aldol reaction via the enamine mechanism verified by in situ NMR and ESI-MS analysis.

Safety of 1-(4-Nitrophenyl)ethanone. Welcome to talk about 100-19-6, If you have any questions, you can contact Han, JS; Zhang, JL; Zhang, WQ; Gao, ZW; Xu, LW; Jian, YJ or send Email.

Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem

An article Catalyst-free and solvent-free hydroboration of ketones WOS:000474646200008 published article about SELECTIVE HYDROBORATION; EFFICIENT HYDROBORATION; ALDEHYDES; CARBONYL; COMPLEXES; MILD; DIBORATION; HYDRIDE; ALKYNES; BORANE in [Wang, Weifan; Luo, Man; Ma, Mengtao; Xu, Li] Nanjing Forestry Univ, Dept Chem & Mat Sci, Coll Sci, Nanjing 210037, Jiangsu, Peoples R China; [Yao, Weiwei] Nanjing Univ Chinese Med, Coll Pharm, Nanjing 210023, Jiangsu, Peoples R China; [Pullarkat, Sumod A.; Leung, Pak-Hing] Nanyang Technol Univ, Sch Phys & Math Sci, Div Chem & Biol Chem, Singapore 637371, Singapore in 2019.0, Cited 59.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6. Safety of 1-(4-Nitrophenyl)ethanone

The hydroboration of a wide range of ketones with pinacolborane can be achieved under catalyst-free and solvent-free conditions to provide the corresponding boronic esters in quantitative yields. A large gram-scale hydroboration of acetophenone with HBpin under the same conditions was also performed to afford the alcohol product in a high yield thus demonstrating the scalability of the newly developed simple protocol.

Welcome to talk about 100-19-6, If you have any questions, you can contact Wang, WF; Luo, M; Yao, WW; Ma, MT; Pullarkat, SA; Xu, L; Leung, PH or send Email.. Safety of 1-(4-Nitrophenyl)ethanone

Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem

An article Nitrogen, Sulfur Co-doped Carbon Materials Derived from the Leaf, Stem and Root of Amaranth as Metal-free Catalysts for Selective Oxidation of Aromatic Hydrocarbons WOS:000459736500011 published article about POROUS CARBON; FREE ELECTROCATALYSTS; AEROBIC OXIDATION; ENERGY DENSITY; SURFACE-AREA; PHOSPHORUS; BIOMASS; NANOTUBES; BORON; STORAGE in [Sun, Yongbin; Liu, Kun; Hou, Chao] Taishan Med Univ, Sch Chem & Pharmaceut Engn, Tai An 271016, Shandong, Peoples R China; [Liu, Jian; Huang, Runkun; Cao, Changyan; Song, Weiguo] Chinese Acad Sci, Inst Chem, Lab Mol Nanostruct & Nanotechnol, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China in 2019.0, Cited 47.0. HPLC of Formula: C8H7NO3. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6

Development of porous heteroatom-doped carbon materials from plant biomass is of great significance for various applications in environment, energy conversion and catalysis process. However, the different natures of carbon materials derived from the leaf, stem and root of the same plant biomass are rarely reported. Herein, we synthesized porous carbon materials from the leaf, stem and root of amaranth respectively by pyrolysis without any activation treatment. Detailed characterizations indicated that these three carbon materials all had nitrogen, sulfur doped atoms and similar degree of graphitization, but showed distinct differences in the pore structures and surface compositions. We suggested these differences were contributed by the different contents of ashes, vascular bundles and proteins in different parts. When used as metal-free carbocatalysts for the oxidation of aromatic hydrocarbons, stem-derived carbon (SDC-A) exhibited the highest catalytic performance due to its high surface area, profitable pore volume and rich doped heteroatoms. Moreover, the carbocatalysts derived from the leaf, stem and root of pumpkin vine and coriander showed similar activity differences in oxidation of aromatic alkanes, implying the present results have a certain extent generality, and provide a new guidance for preparing carbon materials from plant biomass.

HPLC of Formula: C8H7NO3. Bye, fridends, I hope you can learn more about C8H7NO3, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem

An article Composite of beta-cyclodextrin and bentonite clay: a promising support for Pd immobilization and developing a catalyst for hydrogenation of nitroarenes under mild reaction condition WOS:000607845700009 published article about PALLADIUM NANOPARTICLES; SELECTIVE HYDROGENATION; HETEROGENEOUS CATALYST; COUPLING REACTIONS; NITRO-COMPOUNDS; EFFICIENT; HALLOYSITE; OXIDE; NANOCOMPOSITE; NANOCATALYST in [Sadjadi, Samahe; Koohestani, Fatemeh] Iran Polymer & Petrochem Inst, Fac Petrochem, Gas Convers Dept, Tehran 14975112, Iran in 2021.0, Cited 51.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6. COA of Formula: C8H7NO3

In attempt to take advantages of naturally occurring compounds for the catalysis, a novel composite composed of beta-cyclodextrin, dendrimer and bentonite clay is fabricated and utilized as a support for the stabilization of Pd nanoparticles. To prepare the support, bentonite is amino functionalized and then successively reacted with 2,4,6-trichloro-1,3,5-triazine and ethylenediamine to furnish a dendrimer of generation II on bentonite. Afterwards, the terminal functionalities of the dendrimer were adorned with cyclodextrin. Bentonite played role in the hetemgenation of the catalyst and improvement of the stability of the composite while, cyclodextrins served as molecular shuttles and capping agent for the as-prepared Pd nanoparticles. Dendrimer with multi nitrogen atoms, on the other hand, improved Pd anchoring through electrostatic interactions. The catalyst was applied for the hydrogenation of nitmarenes under mild reaction condition in aqueous media in a selective manner. Notably, the catalyst could be recovered and reused repeatedly.

About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Sadjadi, S; Koohestani, F or concate me.. COA of Formula: C8H7NO3

Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem

Computed Properties of C8H7NO3. In 2019.0 CHEM RES TOXICOL published article about MIXED-LIGAND COMPLEXES; DNA INTERACTION; ANTICANCER ACTIVITY; ZINC(II) COMPLEXES; MOLECULAR DOCKING; GROWTH-INHIBITION; CANCER-CELLS; COPPER(II); NICKEL(II); BINDING in [Bharathi, Sundaram; Mahendiran, Dharmasivam; Rahiman, Aziz Kahlur] Univ Madras, New Coll Autonomous, Postgrad & Res Dept Chem, Chennai 600014, Tamil Nadu, India; [Mahendiran, Dharmasivam] Univ Sydney, Bosch Inst, Dept Pathol, Mol Pharmacol & Pathol Program, Sydney, NSW 2006, Australia; [Kumar, Raju Senthil] Swamy Vivekanandha Coll Pharm, Dept Pharmaceut Chem, Elayampalayam 637205, Tiruchengodu, India; [Kim, Young Guk; Gajendiran, Mani; Kim, Kyobum] Incheon Natl Univ, Sch Life Sci & Bioengn, Div Bioengn, Incheon 22012, South Korea in 2019.0, Cited 48.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6.

Eight heteroleptic nickel(II) and copper(II) complexes of the type [M(L1-4)(nap)(2)] (1-8), where L1-4 = 2-(1-(4-substitutedphenyl)ethylidene)-hydrazinecarbothioamide, nap = naproxen, and M = Ni(II) or Cu(II), have been synthesized and characterized. UV-vis and EPR spectral studies showed distorted octahedral geometry around metal(II) ions. The cyclic voltammogram of complexes 1-8 displayed an irreversible one-electron transfer process in the cathodic region (E-pc = -0.66 to -1.43 V), and nickel(II) complexes 1-4 displayed an irreversible one-electron oxidation process in the anodic region (E-pa = 0.75 to 1.10 V). The obtained magnetic moment values (1.82-1.93 mu(B)) for copper(II) complexes 5-8 indicate distortion from octahedral geometry, which is further supported by EPR studies. The geometry of the complexes is retained in both solid and solution phases as evidenced from UV-vis and EPR studies. All the complexes showed stability for almost 72 h in biologically relevant solutions. The reducing ability of the copper(II) complexes in the presence of ascorbic acid was analyzed by UV-vis and cyclic voltammetry techniques, which indicates the reduction of the copper(II) to a copper(I) center, and possible interaction within the cells. An in vitro antiproliferative study revealed the nontoxic nature of complexes to normal human dermal fibroblast (NHDF) up to a concentration of 100 ng/mL. The antiproliferative activity of the complexes was tested against three cancerous (human breast adenocarcinoma (MCF-7), hepatoma (HepG2), and lung (A549)) cell lines using MTT reduction assay, which showed enhanced activity for complexes 4 and 8 containing the hydrophobic substituent. Apoptotic and cellular uptake studies showed that complex 8 is readily taken up by HepG2 cell lines and induces ROS-mediated mitochondrial and caspase-dependent apoptosis. In silico studies indicated hydrogen bonding, hydrophobic, and pi-pair (pi-pi, pi-sigma, and pi-cation) interactions between the complexes and EGFR/VEGFR2 kinase receptors.

Computed Properties of C8H7NO3. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Bharathi, S; Mahendiran, D; Kumar, RS; Kim, YG; Gajendiran, M; Kim, K; Rahiman, AK or concate me.

Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem

I found the field of Chemistry very interesting. Saw the article I-2/Li2CO3-promoted cyanation of diarylalcohols through a dual activation process published in 2019. Safety of 2,2-Diphenylacetonitrile, Reprint Addresses Zhang, XH; Xiong, Y (corresponding author), Chongqing Univ, Sch Chem & Chem Engn, Chongqing 401331, Peoples R China.; Xiong, Y (corresponding author), Nankai Univ, State Key Lab Elementoorgan Chem, Tianjin 300071, Peoples R China.. The CAS is 86-29-3. Through research, I have a further understanding and discovery of 2,2-Diphenylacetonitrile

One-step base promoted strategy for cyanation of alpha,alpha-diaryl alcohols has been developed under mild and transition metal-free conditions. This method provides a straightforward and facile way towards the synthesis of beta,gamma-unsaturated nitriles and alpha-phenylnitiriles from alpha-vinyl carbinols and alpha,alpha-diaryl methanols, respectively, up to 99% yield. Moreover, various azides and ethers could also be accessed from their respective nucleophiles under standard reaction conditions. (C) 2018 Elsevier Ltd. All rights reserved.

Safety of 2,2-Diphenylacetonitrile. About 2,2-Diphenylacetonitrile, If you have any questions, you can contact Hu, LZ; Hussain, MI; Deng, QF; Liu, Q; Feng, YY; Zhang, XH; Xiong, Y or concate me.

Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem

Quality Control of 2,2-Diphenylacetonitrile. Authors Lippa, RA; Battersby, DJ; Murphy, JA; Barrett, TN in AMER CHEMICAL SOC published article about in [Lippa, Rhys A.; Murphy, John A.] Univ Strathclyde, Dept Pure & Appl Chem, Glasgow G1 1XL, Lanark, Scotland; [Battersby, David J.; Barrett, Tim N.] GlaxoSmithKline, Med Sci & Technol, Stevenage SG1 2NY, Herts, England in 2021, Cited 51. The Name is 2,2-Diphenylacetonitrile. Through research, I have a further understanding and discovery of 86-29-3

Substituted arylethylamines represent a key structural motif in natural, pharmaceutical, and agrochemical compounds. Access to such scaffolds has been the subject of long-standing synthetic interest. Herein, we report the synthesis of such scaffolds via a palladium-catalyzed C(sp(3))-C(sp(3)) coupling between (chloromethyl)aryls and air-/moisture-stable N,N-dialkylaminomethyltrifluoroborate salts. Rapid hit identification was achieved using microscale high-throughput experimentation and was followed by millimolar-scale reaction parameter optimization. A range of structurally and electronically varied arylethylamine products were obtained in moderate to excellent yields (27-96%, >60 examples). The reaction mechanism is proposed to proceed via formation of a trialkylbenzylammonium species prior to oxidative addition.

Quality Control of 2,2-Diphenylacetonitrile. About 2,2-Diphenylacetonitrile, If you have any questions, you can contact Lippa, RA; Battersby, DJ; Murphy, JA; Barrett, TN or concate me.

Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem

Computed Properties of C8H7NO3. I found the field of Biochemistry & Molecular Biology; Pharmacology & Pharmacy very interesting. Saw the article Quinolone-isoniazid hybrids: synthesis and preliminary in vitro cytotoxicity and anti-tuberculosis evaluation published in 2019.0, Reprint Addresses Khanye, SD (corresponding author), Rhodes Univ, Dept Chem, Fac Sci, ZA-6140 Grahamstown, South Africa.; Khanye, SD (corresponding author), Rhodes Univ, Ctr Chem & Biomed Res, ZA-6140 Grahamstown, South Africa.; Khanye, SD (corresponding author), Rhodes Univ, Fac Pharm, ZA-6140 Grahamstown, South Africa.. The CAS is 100-19-6. Through research, I have a further understanding and discovery of 1-(4-Nitrophenyl)ethanone.

Herein, we propose novel quinolones incorporating an INH moiety as potential drug templates against TB. The quinolone-based compounds bearing an INH moiety attached via a hydrazide-hydrazone bond were synthesised and evaluated against Mycobacterium tuberculosis H37Rv (MTB). The compounds were also evaluated for cytotoxicity against HeLa cell lines. These compounds showed significant activity (MIC90) against MTB in the range of 0.2-8 mu M without any cytotoxic effects. Compounds 10 (MIC90; 0.9 mu M), 11 (MIC90; 0.2 mu M), 12 (MIC90; 0.8 mu M) and compound 15 (MIC90; 0.8 mu M), the most active compounds in this series, demonstrate activities on par with INH and superior to those reported for the fluoroquinolones. The SAR analysis suggests that the nature of substituents at positions -1 and -3 of the quinolone nucleus influences anti-MTB activity. Aqueous solubility evaluation and in vitro metabolic stability of compound 12 highlights favourable drug-like properties for this compound class.

Computed Properties of C8H7NO3. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Beteck, RM; Seldon, R; Jordaan, A; Warner, DF; Hoppe, HC; Laming, D; Legoabe, LJ; Khanye, SD or concate me.

Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem