Category: 100-19-6

Safety of 1-(4-Nitrophenyl)ethanone. I found the field of Chemistry; Physics very interesting. Saw the article Substituent effects on the aromaticity of benzeneAn approach based on interaction coordinates published in 2019, Reprint Addresses Manogaran, S (corresponding author), Indian Inst Technol Kanpur, Dept Chem, Kanpur 208016, Uttar Pradesh, India.; Schaefer, HF (corresponding author), Univ Georgia, Ctr Computat Quantum Chem, Athens, GA 30602 USA.. The CAS is 100-19-6. Through research, I have a further understanding and discovery of 1-(4-Nitrophenyl)ethanone.

Benzene and 23 monosubstituted and 32 disubstituted derivatives of benzene were optimized for minimum energy structures using the B3LYP/cc-pVTZ method. The force fields of all the compounds were evaluated at their optimized geometries using the same method and basis set. In order to understand the effect of substitution(s) on the aromaticity of benzene, the aromaticity index based on interaction coordinates (AIBIC) values were computed for each and the change from the benzene value was obtained. This difference, the substituent effect based on interaction coordinates (SEBIC), quantifies the effect of the substituent on the aromaticity of benzene ring satisfactorily. It is found that the AIBIC of disubstituted benzenes (XC6H4Y) could be predicted well by adding the respective SEBIC(C6H5X) and SEBIC(C6H5Y) values to the AIBIC of benzene. The projected force fields of the meta and para fragments of the monosubstituted benzenes when chosen properly contain the information about the directing influence of the substituent in terms of the electron density based on interaction coordinates (EDBIC). When the EDBIC(para) > EDBIC(meta) relative to benzene, the substituent is ortho-para directing, while when the reverse is true, it is meta directing. The effect of conformational changes on aromaticity has been studied using aminophenols and dihydroxybenzenes. The additivity rule and the EDBIC concept work adequately well in that the methods can have several useful practical applications that will benefit various areas of science. A good understanding of the substituent effects and the ability to predict them should add a new dimension to the applications of AIBIC.

About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Dey, S; Manogaran, D; Manogaran, S; Schaefer, HF or concate me.. Safety of 1-(4-Nitrophenyl)ethanone

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

Computed Properties of C8H7NO3. Yang, YZ; Wu, YC; Song, RJ; Li, JH in [Yang, Yong-Zheng; Wu, Yan-Chen; Song, Ren-Jie; Li, Jin-Heng] Nanchang Hangkong Univ, Key Lab Jiangxi Prov Persistent Pollutants Contro, Nanchang 330063, Jiangxi, Peoples R China; [Li, Jin-Heng] Hunan Univ, State Key Lab Chemo Biosensing & Chemometr, Changsha 410082, Peoples R China; [Li, Jin-Heng] Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China published Electrochemical dehydrogenative cross-coupling of xanthenes with ketones in 2020.0, Cited 78.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6.

A new external oxidant-free electrochemical dehydrogenative cross-coupling of xanthenes and ketones for the preparation of functionalized 9-alkyl-9H-xanthenes was developed. This method enables the formation of a new C(sp(3))-C(sp(3)) bond through release of H(2)as the major byproduct at room temperature, and features mild conditions, high atom economy, excellent functional-group tolerance, scalability and facile applications in pharmaceutical chemistry.

Computed Properties of C8H7NO3. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Yang, YZ; Wu, YC; Song, RJ; Li, JH or concate me.

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

An article Synthesis, cytotoxicity and in vitro antibacterial screening of novel hydrazones bearing thienopyridine moiety as potent COX-2 inhibitors WOS:000545550700002 published article about BIOLOGICAL EVALUATION; MOLECULAR DOCKING; DERIVATIVES; DESIGN; HYDRAZIDES; DISCOVERY; SAR in [Sanad, Sherif M. H.; Mekky, Ahmed E. M.] Cairo Univ, Fac Sci, Chem Dept, Giza 12613, Egypt in 2020.0, Cited 58.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6. SDS of cas: 100-19-6

The starting precursors 2-carbohydrazides, bearing thienopyridine moiety, were prepared using 2-thioxopyridine-3-carbonitriles as key synthons. Next, 2-carbohydrazides were reacted with a variety of 4-substituted benzylidinemalononitriles or 4-substituted benzaldehydes to afford a new series of the target hydrazones incorporating thienopyridine moiety. The elemental analyses and spectral data were used to demonstrate the structures of new hydrazones series. The in vitro antibacterial activities of the target hydrazones were evaluated against different strains of Gram-positive and Gram-negative bacteria. In comparison with chloramphenicol as a reference drug, hydrazones 13b, 13c and 13d, linked to p-C1, p-Br and p-Me moiety, respectively, exhibited the strongest activities against all tested bacteria with MIC values in the range of 6.2-12.5 mu g/mL. In addition, several new hydrazones were tested as in vitro cytotoxic agents against each of human breast carcinoma MCF-7 cell line, colon cancer Caco2 cell line and liver hepatocellular carcinoma HEPG2 cell line. The hydrazones 13b, 13c and 13d demonstrated the best cytotoxicity against the tested eukaryotic cells. Furthermore, both experimental and docking studies could predict the promising inhibitory activities of hydrazones 13c and 13d against COX-2 enzyme with IC 50 of 0.110 and 0.104 mu M, respectively, when compared with Celecoxib (IC50 of 0.115 mu M). [GRAPHICS] .

SDS of cas: 100-19-6. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Sanad, SMH; Mekky, AEM or concate me.

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

An article Palladium-Catalyzed C-H Arylation of Aliphatic and Aromatic Ketones using Dipeptide Transient Directing Groups WOS:000466161500014 published article about CARBON-CARBON BONDS; C(SP(3))-H FUNCTIONALIZATION; ALDEHYDES; OSTEOARTHRITIS; NABUMETONE; ACTIVATION; MANAGEMENT; AMIDATION; SAFETY; DRUG in [Cheng, Yaohang; Zheng, Jie; Tian, Chao; He, Yuhang; Zhang, Cong; Tan, Qi; An, Guanghui; Li, Guangming] Heilongjiang Univ, Key Lab Funct Inorgan Mat Chem MOE, Sch Chem & Mat Sci, 74 Xuefu Rd, Harbin 150080, Heilongjiang, Peoples R China; [An, Guanghui] Harbin Engn Univ, Coll Mat Sci & Chem Engn, Harbin 150001, Heilongjiang, Peoples R China in 2019.0, Cited 52.0. 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

Ketones are ubiquitous structural motifs in chemical materials and medicinally active pharmaceutical ingredients. Transition metal-catalyzed C-H bond functionalization is one of the most efficient tactics for diversification of ketones. Palladium-catalyzed C-H arylation of aliphatic and aromatic ketones has been achieved utilizing an inexpensive dipeptide as a transient directing group. The tridentate coordination used in this reaction enhances the reactivity of the substrates and allows reduction of the loading of the directing group compounds to 20%. This approach allows rapid arylation of complex natural products, medicinal-chemistry-related scaffolds, and even remote C(sp(2))-H bonds.

Safety of 1-(4-Nitrophenyl)ethanone. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Cheng, YH; Zheng, J; Tian, C; He, YH; Zhang, C; Tan, Q; An, GH; Li, GM or concate me.

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

In 2019.0 J ORG CHEM published article about ENANTIOSELECTIVE SYNTHESIS; TRANSFER HYDROGENATION; ALIPHATIC-KETONES; SILICON-COMPOUNDS; PENTACOORDINATE; REAGENTS; PHOSPHORUS; REACTIVITY; COMPLEXES in [Skrypai, Vladislav; Varjosaari, Sami E.; Gilbert, Thomas M.; Adler, Marc J.] Northern Illinois Univ, Dept Chem & Biochem, 1425 W Lincoln Hwy, De Kalb, IL 60115 USA; [Varjosaari, Sami E.] Coker Coll, Dept Sci & Math, 300 E Coll Ave, Hartsville, SC 29550 USA; [Azam, Fawwaz; Adler, Marc J.] Ryerson Univ, Dept Chem & Biol, 350 Victoria St, Toronto, ON M5B 2K3, Canada in 2019.0, Cited 45.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6. HPLC of Formula: C8H7NO3

The asymmetric direct reductive amination of prochiral ketones with aryl amines using 1-hydrosilatrane with a chiral Bronsted acid catalyst is reported. This is the first known example of chiral Bronsted acid-catalyzed asymmetric reductive amination using a silane as the hydride source. The reaction features a highly practical reducing reagent and proceeds efficiently at room temperature without a specialized reaction setup or equipment to exclude air or moisture. This method provides high conversion and enantiomeric excess up to 84% of the desired chiral secondary amines with minimal side products.

HPLC of Formula: C8H7NO3. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Skrypai, V; Varjosaari, SE; Azam, F; Gilbert, TM; Adler, MJ or concate me.

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

In 2020.0 EUR J MED CHEM published article about MITOCHONDRIAL SIRTUINS; HISTONE DEACETYLASE; STRUCTURAL BASIS; LIFE-SPAN; DESUCCINYLATION; MECHANISM; DISEASE; CANCER; GROWTH; GENE in [Glas, Carina; Urban, Lars; Bracher, Franz] Ludwig Maximilians Univ Munchen, Ctr Drug Res, Dept Pharm, Butenandtstr 5-13, D-81377 Munich, Germany; [Dietschreit, Johannes C. B.; Ochsenfeld, Christian] Ludwig Maximilians Univ Munchen, Dept Chem, Chair Theoret Chem, Butenandtstr 7, D-81377 Munich, Germany; [Woessner, Nathalie; Jung, Manfred] Albert Ludwigs Univ Freiburg, Inst Pharmaceut Sci, Albertstr 25, D-79104 Freiburg, Germany; [Ghazy, Ehab; Sippl, Wolfgang] Martin Luther Univ Halle Wittenberg, Inst Pharm, Wolfgang Langenbeck Str 4, D-06120 Halle, Saale, Germany in 2020.0, Cited 66.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6. Category: benzodioxans

We report here an extensive structure-activity relationship study of balsalazide, which was previously identified in a high-throughput screening as an inhibitor of Sirt5. To get a closer understanding why this compound is able to inhibit Sirt5, we initially performed docking experiments comparing the binding mode of a succinylated peptide as the natural substrate and balsalazide with Sirt5 in the presence of NAD(+). Based on the evidence gathered here, we designed and synthesized 13 analogues of balsalazide, in which single functional groups were either deleted or slightly altered to investigate which of them are mandatory for high inhibitory activity. Our study confirms that balsalazide with all its given functional groups is an inhibitor of Sirt5 in the low micromolar concentration range and structural modifications presented in this study did not increase potency. While changes on the N-aroyl-beta-alanine side chain eliminated potency, the introduction of a truncated salicylic acid part minimally altered potency. Calculations of the associated reaction paths showed that the inhibition potency is very likely dominated by the stability of the inhibitor-enzyme complex and not the type of inhibition (covalent vs. non-covalent). Further in-vitro characterization in a trypsin coupled assay determined that the tested inhibitors showed no competition towards NAD(+) or the synthetic substrate analogue ZKsA. In addition, investigations for subtype selectivity revealed that balsalazide is a subtype-selective Sirt5 inhibitor, and our initial SAR and docking studies pave the way for further optimization. (C) 2020 Elsevier Masson SAS. All rights reserved.

Category: benzodioxans. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Glas, C; Dietschreit, JCB; Wossner, N; Urban, L; Ghazy, E; Sippl, W; Jung, M; Ochsenfeld, C; Bracher, F or concate me.

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

An article Synthesis, Structure, and Biological Activity of Magnesium(II), Zinc(II), Cobalt(II), and Copper(II) Bis(4-aryl-1-ethoxy-1-oxobutane-2,4-dionates) WOS:000463631500012 published article about COMPLEXES; LIGANDS in [Kunavina, E. A.; Sizentsov, A. N.; Salikova, E. V.; Rusyaeva, M. L.; Korol’kova, D. S.] Orenburg State Univ, Pr Pobedy 13, Orenburg 460018, Russia; [Koz’minykh, V. O.] Perm State Humanitarian Pedag Univ, Sibirskaya Ul 24, Perm 614990, Russia in 2019.0, Cited 8.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6. Recommanded Product: 1-(4-Nitrophenyl)ethanone

The condensation of aryl methyl ketones with diethyl oxalate in the presence of metallic sodium or sodium hydride gave sodium 4-aryl-1-ethoxy-1,4-dioxobut-2-en-2-olates, and metal exchange of the latter with magnesium(II), zinc(II), cobalt(II), and copper(II) salts afforded the corresponding metal bis(4-aryl-1-ethoxy-1-oxobutane-2,4-dionates). The obtained complexes were tested for antibacterial activity against gram-positive and gram-negative bacteria by the agar diffusion method.

Recommanded Product: 1-(4-Nitrophenyl)ethanone. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Kunavina, EA; Koz’minykh, VO; Sizentsov, AN; Salikova, EV; Rusyaeva, ML; Korol’kova, DS or concate me.

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

An article A near-infrared fluorescent probe for endogenous hydrogen peroxide real-time imaging in living cells and zebrafish WOS:000463979700066 published article about HIGHLY SELECTIVE DETECTION; OXIDATIVE STRESS; BORONATE; H2O2; GLUTATHIONE; CANCER in [Huang, Xin; Li, Zhipeng; Liu, Zixin; Zeng, Chengchu; Hu, Liming] Beijing Univ Technol, Beijing Key Lab Environm & Oncol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China in 2019.0, Cited 44.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6. Recommanded Product: 1-(4-Nitrophenyl)ethanone

Hydrogen peroxide (H2O2) can be produced in mitochondria and plays a significant role in physiological metabolism. Overproduction of H2O2 is a hallmark of many diseases. Therefore, it is very important to develop a highly sensitive method for detecting H2O2 both in vivo and in vitro. Previously reported benzil-based fluorescence probes are superior to those based on boronate ester in terms of reaction selectivity. However, the near infrared (NIR) probe with biocompatibility has been rarely reported for the detection of endogenous hydrogen peroxide and the real-time imaging in biological system. Hemicyanine skeleton has been proven to be effective scaffold for NM fluorescent probes for non-invasive optical imaging in vivo. In this paper, a Cy-H2O2 probe for real-time monitoring hydrogen peroxide in organisms was designed by modifying the NIR hemicyanine framework with benzil moiety. The results showed that Cy-H2O2 exhibits high specificity and sensitivity, and has good water solubility and short response time (within 10 min) for detection of hydrogen peroxide in vitro and in vivo. The reaction mechanism was deduced by detecting product of the fluorescent probe reacting with hydrogen peroxide using HPLC. The probe shows a good linear relationship for the specific response to H2O2 within the concentration range of 0-7 mu M and the detection limit is 65 nM. In addition, the probe Cy-H2O2 has been successfully applied to H2O2 detection in living cells and zebrafish.

Recommanded Product: 1-(4-Nitrophenyl)ethanone. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Huang, X; Li, ZP; Liu, ZX; Zeng, CC; Hu, LM or concate me.

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

I found the field of Chemistry very interesting. Saw the article Simple RuCl3-catalyzed N-Methylation of Amines and Transfer Hydrogenation of Nitroarenes using Methanol published in 2021.0. Product Details of 100-19-6, Reprint Addresses Natte, K (corresponding author), CSIR Indian Inst Petr, Chem & Mat Sci Div, Haridwar Rd, Dehra Dun 248005, Uttarakhand, India.; Natte, K (corresponding author), Acad Sci & Innovat Res AcSIR, CSIR HRDC Campus,Joggers Rd, Ghaziabad 201002, Uttar Pradesh, India.. The CAS is 100-19-6. Through research, I have a further understanding and discovery of 1-(4-Nitrophenyl)ethanone

Methanol is a potential hydrogen source and C-1 synthon, which finds interesting applications in both chemical synthesis and energy technologies. The effective utilization of this simple alcohol in organic synthesis is of central importance and attracts scientific interest. Herein, we report a clean and cost-competitive method with the use of methanol as both C-1 synthon and H-2 source for selective N-methylation of amines by employing relatively cheap RuCl3.xH(2)O as a ligand-free catalyst. This readily available catalyst tolerates various amines comprising electron-deficient and electron-donating groups and allows them to transform into corresponding N-methylated products in moderate to excellent yields. In addition, few marketed pharmaceutical agents (e. g., venlafaxine and imipramine) were also successfully synthesized via late-stage functionalization from readily available feedstock chemicals, highlighting synthetic value of this advanced N-methylation reaction. Using this platform, we also attempted tandem reactions with selected nitroarenes to convert them into corresponding N-methylated amines using MeOH under H-2-free conditions including transfer hydrogenation of nitroarenes-to-anilines and prepared drug molecules (e. g., benzocaine and butamben) as well as key pharmaceutical intermediates. We further enable one-shot selective and green syntheses of 1-methylbenzimidazole using ortho-phenylenediamine (OPDA) and methanol as coupling partners.

Product Details of 100-19-6. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Sarki, N; Goyal, V; Tyagi, NK; Puttaswamy; Narani, A; Ray, A; Natte, K or concate me.

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

Quality Control of 1-(4-Nitrophenyl)ethanone. Bento, I; Bernaldez, M; Noguchi, R; Kawakami, J in [Bento, Ian; Bernaldez, Mabel; Noguchi, Ryden; Kawakami, Joel] Chaminade Univ Honolulu, Nat Sci & Math, Honolulu, HI 96816 USA published Ultrasound-assisted rapid reduction of nitroaromatics to anilines using gallium metal in 2020.0, Cited 12.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6.

The reduction of nitroaromatic compounds to anilines is widely used throughout organic synthesis. Typical methods of performing this transformation utilize hydrogenation over a pyrophoric catalyst or a finely divided reducing metal, which often affords heterogeneous mixtures that are difficult to purify. Herein, we report for the first time the use of gallium metal as a reducing agent in organic synthesis. The reaction proceeds under aerobic conditions and affords homogeneous mixtures for a convenient workup. Using this method, twelve anilines were obtained in 33% to quantitative yields with short reaction times of 10-60 minutes.

Quality Control of 1-(4-Nitrophenyl)ethanone. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Bento, I; Bernaldez, M; Noguchi, R; Kawakami, J or concate me.

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