Day: October 27, 2021

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

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

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

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

Authors Yamali, C; Gul, HI; Ece, A; Bua, S; Angeli, A; Sakagami, H; Sahin, E; Supuran, CT in ACADEMIC PRESS INC ELSEVIER SCIENCE published article about CARBONIC-ANHYDRASE-IX; SQUAMOUS-CELL CARCINOMA; STRUCTURE-CYTOTOXICITY RELATIONSHIP; TYROSINE KINASE INHIBITOR; PHENOLIC MANNICH-BASES; CYCLOOXYGENASE-2 INHIBITOR; RHEUMATOID-ARTHRITIS; ISOFORMS IX; SULFONAMIDES; APOPTOSIS in [Yamali, Cem; Gul, Halise Inci] Ataturk Univ, Fac Pharm, Dept Pharmaceut Chem, TR-25240 Erzurum, Turkey; [Ece, Abdulilah] Biruni Univ, Fac Pharm, Dept Pharmaceut Chem, Istanbul, Turkey; [Bua, Silvia; Angeli, Andrea; Supuran, Claudiu T.] Univ Firenze, Neurofarba Dept, Sez Sci Farmaceut & Nutraceut, Via U Schiff 6, I-50019 Florence, Italy; [Sakagami, Hiroshi] Meikai Univ, Res Inst Odontol M RIO, Sakado, Saitama 3500283, Japan; [Sahin, Ertan] Ataturk Univ, Fac Sci, Dept Chem, Erzurum, Turkey in 2019.0, Cited 84.0. HPLC of Formula: C8H7NO3. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6

Inhibition of carbonic anhydrases (CAs, EC 4.2.1.1) has clinical importance for the treatment of several diseases. They participate in crucial regulatory mechanisms for balancing intracellular and extracellular pH of the cells. Among CA isoforms, selective inhibition of hCA IX has been linked to decreasing of cell growth for both primary tumors and metastases. The discovery of novel CA inhibitors as anticancer drug candidates is a current topic in medicinal chemistry. 1,3,5-Trisubstituted pyrazoles carrying benzenesulfonamide were evaluated against physiologically abundant cytosolic hCA I and hCA II and trans-membrane, tumor-associated hCA IX isoforms by a stopped-flow CO2 hydrase method. Their in vitro cytotoxicities were screened against human oral squamous cell carcinoma (OSCC) cell lines (HSC-2) and human mesenchymal normal oral cells (HGF) via 3-(4,5-Dimethylthiazol-2-yl)-2,5-Diphenyltetrazolium Bromide (MTT) test. Compounds 6, 8, 9, 11, and 12 showed low nanomolar hCA II inhibitory potency with Ki < 10 nM, whereas compounds 9 and 12 displayed Ki < 10 nM against hCA IX isoenzyme when compared with reference Acetazolamide (AZA). Compound 9, 4-(3-(hydrazinecarbonyl) 5 (4 nitropheny1)-1H-pyrazol-1-yebenzenesulfonamide, can be considered as the most selective hCA IX inhibitor over off-target cytosolic isoenzymes hCA I and hCA II with the lowest Ki value of 2.3 nM and selectivity ratios of 3217 (hCA I/hCA IX) and 3.9 (hCA II/hCA IX). Isoform selectivity profiles were also discussed using in silico modelling. Cytotoxicity results pointed out that compounds 5 (CC50, = 37.7 mu M) and 11 (CC50 = 58.1 mu M) can be considered as lead cytotoxic compounds since they were more cytotoxic than 5-Fluorouracil (5-FU) and Methotrexate (MTX). About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Yamali, C; Gul, HI; Ece, A; Bua, S; Angeli, A; Sakagami, H; Sahin, E; Supuran, CT or concate me.. HPLC of Formula: C8H7NO3

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

An article Iodine/K2CO3-catalyzed synthesis of multisubstituted pyrrolidine-2-carboxylates via a one-pot reaction between an araldehyde, an amino acid ester, and a chalcone WOS:000474875100003 published article about 1,3-DIPOLAR CYCLOADDITION; ASYMMETRIC 1,4-ADDITION; AZOMETHINE YLIDES; PYRROLIDINES in [Zhang, Yongjian; Su, Junyi; Lin, Tengfei; Lin, Zhangqi; Zhou, Zichun; Li, Yujin] Zhejiang Univ Technol, Coll Chem Engn, Hangzhou, Zhejiang, Peoples R China in 2019.0, Cited 30.0. SDS of cas: 100-19-6. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6

A series of more than 20 multisubstituted pyrrolidine-2-carboxylates were synthesized via a one-pot cycloaddition of an araldehyde, an amino acid ester, and a chalcone catalyzed by I-2/K2CO3 in tetrahydrofuran at 80 degrees C. The advantages of this method are readily available starting materials, mild conditions, and simple operation, and it is metal free and yields are good to excellent.

About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Zhang, YJ; Su, JY; Lin, TF; Lin, ZQ; Zhou, ZC; Li, YJ or concate me.. SDS of cas: 100-19-6

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

Product Details of 100-19-6. Authors Song, T; Zhou, X; Wang, XX; Xiao, JL; Yang, Y in ROYAL SOC CHEMISTRY published article about in [Song, Tao; Zhou, Xin; Wang, Xiaoxue; Yang, Yong] Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, CAS Key Lab Biobased Mat, 189 Songling Rd, Qingdao 266101, Peoples R China; [Xiao, Jianliang] Univ Liverpool, Dept Chem, Crown St, Liverpool L69 7ZD, Merseyside, England; [Song, Tao; Zhou, Xin; Wang, Xiaoxue; Yang, Yong] Shandong Energy Inst, Qingdao 266101, Peoples R China in 2021.0, Cited 66.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6

A new methodology for the synthesis of alpha-diketones was reported via a one-pot cascade process from aldehydes and ketones catalyzed by a bifunctional iron nanocomposite using H2O2 as a green oxidant in water. The one-pot strategy showed excellent catalytic stability, comprehensive suitability of substrates and important practical utility for directly synthesizing biologically active and medicinally valuable N-heterocycles via an intermittent process.

Product Details of 100-19-6. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Song, T; Zhou, X; Wang, XX; Xiao, JL; Yang, Y or concate me.

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

I found the field of Chemistry very interesting. Saw the article Synthesis, Photophysical Properties, and Metal-Ion Recognition Studies of Fluoroionophores Based on 1-(2-Pyridyl)-4-Styrylpyrazoles published in 2019.0. Recommanded Product: 100-19-6, Reprint Addresses Portilla, J (corresponding author), Univ los Andes, Dept Chem, Bioorgan Cpds Res Grp, Carrera 1 18A-10, Bogota 111711, Colombia.. The CAS is 100-19-6. Through research, I have a further understanding and discovery of 1-(4-Nitrophenyl)ethanone

A convenient access toward novel fluoroionophores based on 1-(2-pyridyl)-4-styrylpyrazoles (PSPs) substituted at position 3 with donor or acceptor aryl groups is reported. The synthesis proceeds in two steps: the first one via Wittig olefination of the appropriate 4-formylpyrazole and then Mizoroki-Heck coupling to yield the desired products in an overall yield of up to 69%. Photophysical properties of products (4-styryl) and their intermediates (4-vinyl) were explored, finding that they have strong blue-light emission with high quantum yields (up to 66%) due to ICT phenomena. The 3-phenyl PSP was studied as a turn-off fluorescent probe in metal ion sensing, finding a high selectivity to Hg2+ (LOD = 3.1 x 10(-7)M) in a process that could be reversed with ethylenediamine. The sensing mechanism and binding mode of the ligand to Hg2+ were established by HRMS analysis and H-1 NMR titration tests.

Recommanded Product: 100-19-6. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Orrego-Hernandez, J; Cobo, J; Portilla, J or concate me.

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

In 2020.0 J CHILD PSYCHOL PSYC published article about COGNITIVE-BEHAVIORAL THERAPY; BRIEF PSYCHOSOCIAL INTERVENTION; OBSERVER-BLIND; CHILDREN; SEVERITY; PSYCHOTHERAPY; MULTICENTER; OUTPATIENTS; DISORDERS; INVENTORY in [Davies, Sian Emma; Neufeld, Sharon A. S.; Kelvin, Raphael; Wilkinson, Paul; van Harmelen, Anne Laura; Goodyer, Ian Michael] Univ Cambridge, Dept Psychiat, Cambridge, England; [van Sprang, Eleonore] Vrije Univ Amsterdam Med Ctr, Amsterdam UMC, Dept Psychiat, Amsterdam, Netherlands; [Schweren, Lizanne] Univ Med Ctr Groningen, Dept Psychiat, Groningen, Netherlands; [Keivit, Rogier] Univ Cambridge, MRC Cognit & Brain Sci Unit, Cambridge, England; [Fonagy, Peter; Midgley, Nick; Target, Mary] UCL, Res Dept Clin Educ & Hlth Psychol, Div Psychol & Language Sci, London, England; [Dubicka, Bernadka] Univ Manchester, Dept Psychiat, Manchester, Lancs, England; [Reynolds, Shirley] Univ Reading, Sch Psychol & Clin Language Sci, Reading, Berks, England in 2020.0, Cited 34.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6. Computed Properties of C8H7NO3

Objective To classify a cohort of depressed adolescents recruited to the UK IMPACT trial, according to trajectories of symptom change. We examined for predictors and compared the data-driven categories of patients with a priori operational definitions of treatment response. Method Secondary data analysis using growth mixture modelling (GMM). Missing data were imputed. Trajectories of self-reported depressive symptoms were plotted using scores taken at six nominal time points over 86 weeks from randomisation in all 465 patients. Results A piecewise GMM categorised patients into two classes with initially similar and subsequently distinct trajectories. Both groups had a significant decline in depressive symptoms over the first 18 weeks. Eighty-four per cent (84.1%, n = 391) of patients were classed as ‘continued-improvers’ with symptoms reducing over the duration of the study. A further class of 15.9% (n = 74) of patients were termed ‘halted-improvers’ with higher baseline depression scores, faster early recovery but no further improvement after 18 weeks. Presence of baseline comorbidity somewhat increased membership to the halted-improvers class (OR = 1.40, CI: 1.00-1.96). By end of study, compared with classes, a clinical remission cut-off score (<= 27) and a symptom reduction score (>= 50%) indexing treatment response misclassified 15% and 31% of cases, respectively. Conclusions A fast reduction in depressive symptoms in the first few weeks of treatment may not indicate a good prognosis. Halted improvement is only seen after 18 weeks of treatment. Longitudinal modelling may improve the precision of revealing differential responses to treatment. Improvement in depressive symptoms may be somewhat better in the year after treatment than previously considered.

Computed Properties of C8H7NO3. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Davies, SE; Neufeld, SAS; van Sprang, E; Schweren, L; Keivit, R; Fonagy, P; Dubicka, B; Kelvin, R; Midgley, N; Reynolds, S; Target, M; Wilkinson, P; van Harmelen, AL; Goodyer, IM or concate me.

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

An article Common Occurrence of Twisted Molecular Crystal Morphologies from the Melt WOS:000569269800058 published article about SPHERULITES; CRYSTALLIZATION; ORIGIN; PREDICTION; POLYMER in [Shtukenberg, Alexander G.; Zhu, Xiaolong; Yang, Yongfan; Kahr, Bart] NYU, Dept Chem, New York, NY 10003 USA; [Shtukenberg, Alexander G.; Zhu, Xiaolong; Yang, Yongfan; Kahr, Bart] NYU, Mol Design Inst, New York, NY 10003 USA in 2020, Cited 49. SDS of cas: 100-19-6. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6

Two books that describe the forms of thin films of many molecular crystals grown from the melt in polarized light, Gedrillte Kristalle (1929) by Ferdinand Bernauer and Thermomicroscopy in the Analysis of Pharmaceuticals (1971) by Maria Kuhnert-Brandstatter, are analyzed. Their descriptions, especially of curious morphologies consistent with helicoidal twisting of crystalline fibrils or narrow lamellae, are compared in the aggregate with observations from our laboratory collected during the past 10 years. According to Bernauer, 27% of molecular crystals from the melt adopt helicoidal crystal forms under some growth conditions even though helicoids are not compatible with long-range translational symmetry, a feature that is commonly thought to be an a priori condition for crystallinity. Bernauer’s figure of 27% is often met with surprise if not outright skepticism. Kuhnert-Brandstatter was aware of the tell-tale polarimetric signature of twisting (rhythmic interference colors) but observed this characteristic morphology in less than 0.5% of the crystals described. Here, the experience of the authors with 101 arbitrarily selected compounds-many of which are polymorphous-representing 155 total crystal structures, shows an even higher percentage (ca. 31%) of twisted crystals than the value reported by Bernauer. These observations, both positive (twisting) and negative (no twisting), are tabulated. It is concluded that twisting is not associated with molecular structure or crystal structure/symmetry. Rather, these nonclassical morphologies are associated with certain habits with exaggerated aspect ratios, and their appearance is strongly controlled by the growth conditions. Comments are offered in an attempt to reconcile the observations here, and those of Bernauer, the work of seekers of twisted crystals, with those of Kuhnert-Brandstatter, whose foremost consideration was the characterization of polymorphs of compounds of medicinal interest.

About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Shtukenberg, AG; Zhu, XL; Yang, YF; Kahr, B or concate me.. SDS of cas: 100-19-6

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