Month: November 2021

Kumar, S; Kaushik, A; Narasimhan, B; Shah, SAA; Lim, SM; Ramasamy, K; Mani, V in [Kumar, Sanjiv; Kaushik, Archana; Narasimhan, Balasubramanian] Maharshi Dayanand Univ, Fac Pharmaceut Sci, Rohtak 124001, Haryana, India; [Shah, Syed Adnan Ali; Lim, Siang Meng; Ramasamy, Kalavathy] Univ Teknol MARA UiTM, Fac Pharm, Bandar Puncak Alam 42300, Selangor Darul, Malaysia; [Shah, Syed Adnan Ali] Univ Teknol MARA, Atta Ur Rahman Inst Nat Prod Discovery AuRIns, Bandar Puncak Alam 42300, Selangor Darul, Malaysia; [Lim, Siang Meng; Ramasamy, Kalavathy] Univ Teknol MARA UiTM, Collaborat Drug Discovery Res CDDR Grp, Shah Alam 40450, Selangor Darul, Malaysia; [Mani, Vasudevan] Qassim Univ, Coll Pharm, Dept Pharmacol & Toxicol, Buraydah 51452, Saudi Arabia published Molecular docking, synthesis and biological significance of pyrimidine analogues as prospective antimicrobial and antiproliferative agents in 2019.0, Cited 31.0. Recommanded Product: 1-(4-Nitrophenyl)ethanone. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6.

Pyrimidine nucleus is a significant pharmacophore that exhibited excellent pharmacological activities. A series of pyrimidine scaffolds was synthesized and its chemical structures were confirmed by physicochemical and spectral analysis. The synthesized compounds were evaluated for their antimicrobial potential towards Gram positive and negative bacteria as well as fungal species. They were also assessed for their anticancer activity toward a human colorectal carcinoma cell line (HCT116). Whilst results of antimicrobial potential revealed that compounds Ax2, Ax3, Ax8 and Ax14 exhibited better activity against tested microorganisms, the results of antiproliferative activity indicated that compounds Ax7 and Ax10 showed excellent activity against HCT116. Further, the molecular docking of pyrimidine derivatives Ax1, Ax9 and Ax10 with CDK8 (PDB id: 5FGK) protein indicated that moderate to better docking results within the binding pocket. Compounds Ax8 and Ax10 having significant antimicrobial and anticancer activities may be selected as lead compounds for the development of novel antimicrobial and anticancer agent, respectively.

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

Brondani, PB; Mittersteiner, M; Voigt, MA; Klinkowski, BH; Scharf, DR; de Jesus, PC in [Brondani, Patricia Bulegon; Voigt, Morgana Aline] Univ Fed Santa Catarina, Dept Ciencias Exatas & Educ, BR-89036256 Blumenau, SC, Brazil; [Mittersteiner, Mateus; Klinkowski, Bruna Heloisa; Scharf, Dilamara Riva; de Jesus, Paulo Cesar] Univ Reg Blumenau, Dept Quim, BR-89019917 Blumenau, SC, Brazil published Synthetic Versatility of Lipases: Application for Si-O Bond Formation and Cleavage in 2019.0, Cited 35.0. COA of Formula: C8H7NO3. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6.

Several commercially available lipases were examined in a study on O-Si bond formation and cleavage applying silicon-based protecting groups and alcohols or the corresponding silyl ethers. With regard to deprotection, from silyl ether to the corresponding alcohol, only the solvent and the lipase were necessary. The influence of the protecting group, the lipase source, and the substituent was investigated to optimize the results. The TMS moiety could be removed in 24 hours of reaction at room temperature in aqueous systems (conv. up to 99%, depending on the substrate and lipase). The reverse reactions, that is, with the protection of the alcohols, were carried out in hexane using different silyl chlorides. The TMS, TES, and TBS moieties were successfully inserted in the primary and secondary alcohols without the need for dry conditions or an inert atmosphere, presenting conversions of up to 99%, depending on the substrate.

Welcome to talk about 100-19-6, If you have any questions, you can contact Brondani, PB; Mittersteiner, M; Voigt, MA; Klinkowski, BH; Scharf, DR; de Jesus, PC or send Email.. COA of Formula: C8H7NO3

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

Authors Babon, JC; Esteruelas, MA; Fernandez, I; Lopez, AM; Onate, E in AMER CHEMICAL SOC published article about in [Babon, Juan C.; Esteruelas, Miguel A.; Lopez, Ana M.; Onate, Enrique] Univ Zaragoza, Ctr Innovac Quim Avanzada ORFEO CINQA, Inst Sintesis Quim & Catalisis Homogenea ISQCH, Dept Quim Inorgan,CSIC, Zaragoza 50009, Spain; [Fernandez, Israel] Univ Complutense Madrid, Ctr Innovac Quim Avanzada ORFEO CINQA, Fac Ciencias Quim, Dept Quim Organ 1, Madrid 28040, Spain in 2020, Cited 69. Recommanded Product: 86-29-3. The Name is 2,2-Diphenylacetonitrile. Through research, I have a further understanding and discovery of 86-29-3

Complex OsH6((PPr3)-Pr-i)(2) is an efficient catalyst precursor for the addition of pinacolborane and catecholborane to the C-N triple bond of alkyl nitrites. In this way, a variety of N,N-diborylamines have been isolated and fully characterized, including 13 derivatives not described so far. The range of nitrites used is wide and comprises substrates having unfunctionalized linear and branched chains, and functionalized chains with methoxide, trifluoromethyl, aryl, pyridyl, benzoyl, or cyanide groups. Kinetic studies demonstrate that the overall process consists of two consecutive irreversible reactions: the catalytic metal-promoted monohydroboration of the nitrile to afford the borylimine and the metal-free stoichiometric hydroboration of the latter to give the diborylamine. The mechanism of the hydroboration has been established by combining the kinetic analysis of the catalysis, stoichiometric reactions, and DFT calculations. The rate-determining step of the catalysis is the insertion of the C-N triple bond of the nitrite into the Os-B bond of an osmium-sigma-borane intermediate and is regiodirected by the nucleophilicity of the nitrogen atom and the electrophilicity of the carbon atom of the nitrite.

Recommanded Product: 86-29-3. Welcome to talk about 86-29-3, If you have any questions, you can contact Babon, JC; Esteruelas, MA; Fernandez, I; Lopez, AM; Onate, E or send Email.

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

COA of Formula: C8H7NO3. In 2019.0 ADV SYNTH CATAL published article about EFFICIENT SYNTHESIS; C-H; ENANTIOSELECTIVE SYNTHESIS; BOND FORMATION; CYCLIZATION REACTIONS; COUPLING REACTIONS; SULFUR YLIDES; METAL-FREE; HYDRAZONES; AZOALKENES in [Hu, Sipei; Du, Shiying; Yang, Zuguang; Ni, Lingfang; Chen, Zhengkai] Zhejiang Sci Tech Univ, Dept Chem, Hangzhou 310018, Zhejiang, Peoples R China in 2019.0, Cited 58.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6.

A general and expeditious approach for the copper mediated synthesis of multi-functionalized dihydropyrazoles from N-sulfonylhydrazones and sulfoxonium ylides has been achieved under aerobic oxidative conditions. The formal [4+1] cycloaddition reaction exhibits many notable features and can be easily scaled up to gram scale.

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

Authors Bihani, M; Ansari, TN; Finck, L; Bora, PP; Jasinski, JB; Pavuluri, B; Leahy, DK; Handa, S in AMER CHEMICAL SOC published article about FREE SONOGASHIRA COUPLINGS; C-H ARYLATION; CATALYSIS; COMPLEXES in [Leahy, David K.] Takeda Pharmaceut Int, Proc Chem Dev, Cambridge, MA 02139 USA; [Bihani, Manisha; Ansari, Tharique N.; Finck, Lucie; Bora, Pranjal P.; Pavuluri, Bhavana; Handa, Sachin] Univ Louisville, Dept Chem, Louisville, KY 40292 USA; [Jasinski, Jacek B.] Univ Louisville, Conn Ctr Renewable Energy Res, Mat Characterizat, Louisville, KY 40292 USA in 2020, Cited 44. Product Details of 86-29-3. The Name is 2,2-Diphenylacetonitrile. Through research, I have a further understanding and discovery of 86-29-3

A scalable synthetic method is described for both the preparation of ultrasmall palladium nanoparticles and their subsequent use in catalyzing an alpha-arylation reaction of nitriles in aqueous micelles. This method involves the intermediacy of carbanions or keteniminates, which are presumably stabilized by the micellar environment rather than being quenched with water. These Pd nanoparticles are thoroughly characterized. Mechanistic studies using P-31 NMR spectroscopy revealed the binding of phosphine ligand with the Pd surface and control experiment confirmed the zero-oxidation state of palladium. The scope of the transformation is demonstrated over 35 examples, including one at 50 g scale.

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

In 2019.0 J HAZARD MATER published article about RESPONSIVE HYBRID MICROGELS; AROMATIC NITRO-COMPOUNDS; CHEMOSELECTIVE HYDROGENATION; PALLADIUM NANOPARTICLES; POLYMER MICROGELS; 4-NITROPHENOL; GOLD; NANOCLUSTERS; BOROHYDRIDE; FABRICATION in [Begum, Robina; Farooqi, Zahoor H.; Aboo, Ahmed H.; Xiao, Jianliang] Univ Liverpool, Dept Chem, Liverpool L69 7ZD, Merseyside, England; [Begum, Robina; Farooqi, Zahoor H.; Ahmed, Ejaz; Sharif, Ahsan] Univ Punjab, Inst Chem, New Campus, Lahore 54590, Pakistan; [Begum, Robina] Univ Punjab, Ctr Undergrad Studies, New Campus, Lahore 54590, Pakistan in 2019.0, Cited 75.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6. HPLC of Formula: C8H7NO3

Poly(N-isopropylacrylamide-co-acrylamide) (PNA-BIS-2) microgels were synthesized by free radical precipitation polymerization in aqueous medium. Spherical Ag nanoparticles with diameter of 10-20 nm were fabricated inside the PNA-BIS-2 microgels by in-situ reduction of silver nitrate using sodium borohydride as reducing agent. The Ag nanoparticles- loaded hybrid microgels were characterized by Scanning electron microscopy (SEM), Transmission electron microscopy (TEM), Energy dispersive X-ray (EDX), Scanning transmission electron microscopy (STEM), Ultraviolet visible spectroscopy (UV Visible), Thermogravimetric analysis (TGA) and X-ray diffraction (XRD). Ag contents in the hybrid system were determined by inductively coupled plasma – optical emission spectrometry (ICP-OES). Various nitroarenes were successfully converted into their respective aromatic amines with good to excellent yields (ranging from 75% to 97%) under mild reaction conditions. The catalyst has ability to successfully convert substituted nitroarenes into desired products keeping many functionalities intact. The catalyst can be stored for long time without any sign of aggregation and can be used multiple times without any significant loss in its catalytic activity.

HPLC of Formula: C8H7NO3. Welcome to talk about 100-19-6, If you have any questions, you can contact Begum, R; Farooqi, ZH; Aboo, AH; Ahmed, E; Sharif, A; Xiao, JL or send Email.

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

Computed Properties of C8H7NO3. Authors Fu, Y; Yang, CY; Zheng, YT; Jiang, JW; Sun, Y; Chen, F; Hu, JS in ELSEVIER published article about in [Fu, Yong; Yang, Chengyue; Zheng, Yutong; Jiang, Jinwen; Sun, Yu; Hu, Jianshe] Northeastern Univ, Coll Sci, Ctr Mol Sci & Engn, Shenyang 110819, Peoples R China; [Chen, Feng] Ningde Normal Univ, Fujian Prov Univ Key Lab Green Energy & Environm, Coll Chem & Mat, Fujian Prov Key Lab Featured Mat Biochem Ind, Ningde 352100, Fujian, Peoples R China in 2021.0, Cited 44.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6

Elemental sulfur, as a by-product of petroleum refining, is regarded as a solid waste stored in above-ground deposits due to limited existing applications, meanwhile, mercury contamination is one of the current environmental issues considering its high toxicity to the human, and how to safely dispose of hazardous waste adsorbents is still an unavoidable problem. This study addresses these need by utilizing sulfur for preparation of a polysulfide complex material to capture Hg(II) and convert the Hg(II)-containing spent adsorbent into a catalyst. Initially, the mesoporous silica was prepared and functionalized by using diatomite and APTES, then, an in-situ preparation method was applied to obtain the amine-mesoporous silica/poly(m-aminothiophenol) nanocomposite (MAP), subsequently sulfur was copolymerized with MAP and vinylic-potato starch through inverse vulcanization, forming the sulfur crosslinked polymers composite cp(MAP-S-PS). Many characterizations were employed to determine the physicochemical structure andmorphology of cp(MAP-S-PS). The adsorption study showed the cp(MAP-S-PS) exhibited the theoretical maximum adsorption capacity of 436.68 mg/g, good regeneration performance after 5 cycles and excellent selectivity between Hg(II) ions and common cations. Furthermore, the collected spent adsorbent cp (MAP-S-PS)/Hg(II) was reused as a catalyst for synthesis of acetophenone with 89% yield, and most of phenylacetylene derivatives were also transformed to corresponding acetophenone in good yields. (C) 2021 Published by Elsevier B.V.

Computed Properties of 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

Authors Babon, JC; Esteruelas, MA; Lopez, AM; Onate, E in AMER CHEMICAL SOC published article about H BOND ACTIVATION; SELECTIVE CATALYTIC-HYDROGENATION; HEXAHYDRIDE COMPLEX; LIGANDS PREPARATION; N-H; DEHYDROGENATION; HYDRIDE; VINYLIDENE; RUTHENIUM; REACTIVITY in [Babon, Juan C.; Esteruelas, Miguel A.; Lopez, Ana M.; Onate, Enrique] Univ Zaragoza CSIC, Dept Quim Inorgan, Inst Sintesis Quim & Catalisis Homogenea ISQCH, Ctr Innovac Quim Avanzada ORFEO CINQA, Zaragoza 50009, Spain in 2020, Cited 116. Application In Synthesis of 2,2-Diphenylacetonitrile. The Name is 2,2-Diphenylacetonitrile. Through research, I have a further understanding and discovery of 86-29-3

The transformation of alkyl nitriles to symmetrical and asymmetrical secondary aliphatic amines promoted by the hexahydride complex OsH6 ((PPr3)-Pr-i)(2) (1) is described, and the mechanisms of the reactions involved are established. Complex 1 catalyzes the aforementioned transformations of aryl-, pyridyl-, and alkoxy-functionalized alkyl nitriles with linear or branched chains. The formation of the secondary amines involves primary imines, primary amines, and secondary imines as organic intermediates. The reactions take place under mild conditions (toluene, 100 degrees C, and 4 bar of H-2). Stoichiometric reactions of 1 with pivalonitrile and 2-methoxyacetonitrile have allowed us to isolate the trihydride azavinylidene derivatives OsH3{=N=CHR}((PPr3)-Pr-i)(2) (R = Bu-t (3), CH2OMe (4)). Their formation involves the insertion of the N-C triple bond of the substrates into an Os-H bond of the unsaturated tetrahydride OsH4 ((PPr3)-Pr-i)(2) (A), which is generated by reductive elimination of H-2 from the hexahydride precursor. The reaction of these trihydride azavinylidene species with H-2 is the key step for the reduction of the N-C triple bond of the nitriles. In the absence of H-2, the attack of A to the azavinylidene ligand produces the rupture of its C(sp(2))-C(sp(3)) bond. As a consequence of this attack and the presence of primary imines and amines in the reaction media, the binuclear complexes ((PPr3)-Pr-i)(2) H4Os(mu-CN)OsH3{kappa(1)-N-(NH= CHCH2OMe)}((PPr3)-Pr-i)(2) (5) and ((PPr3)-Pr-i)(2)H4Os(mu-CN)OsH3{kappa(1)-N-(NH2CH2CH2OMe)}((PPr3)-Pr-i)(2) (6) have been isolated and characterized by X-ray diffraction analysis, for 2-methoxyacetonitrile. DFT calculations reveal noticeable similarities between the hydrogenations of nitriles to primary imines and those of primary imines to primary amines.

Welcome to talk about 86-29-3, If you have any questions, you can contact Babon, JC; Esteruelas, MA; Lopez, AM; Onate, E or send Email.. Application In Synthesis of 2,2-Diphenylacetonitrile

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

Recommanded Product: 100-19-6. Authors Xu, DP; Xiong, ML; Kazemnejadi, M in ROYAL SOC CHEMISTRY published article about in [Xu, DaPeng] Gansu Ind Polytech Coll, Inst Chem Technol, TianShui 741000, Peoples R China; [Xiong, Meilu] Gansu Hlth Vocat Coll, Publ Fdn Coll, Lanzhou 730207, Peoples R China; [Kazemnejadi, Milad] Univ Birjand, Fac Sci, Dept Chem, Birjand, Iran in 2021.0, Cited 55.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6

A new, versatile, and green methodology has been developed for the efficient NaBH4-reduction of nitroarenes as well as the domino/reduction MCR preparation of 1-substituted-1H-1,2,3,4-tetrazoles using Pd(ii)-polysalophen coated magnetite NPs as an efficient heterogeneous magnetically recyclable nanocatalyst. Polysalophen was firstly prepared based on a triazine framework with a high degree of polymerization, then coordinated to Pd ions and, finally, the resulting hybrid was immobilized on magnetite NPs. The catalyst was characterized by various instrumental and analytical methods, including GPC, DLS, N-2 adsorption-desorption, TGA, VSM, TEM, HRTEM, EDX, XPS, XRD, and ICP analyses. The catalyst possesses dual-functionality including the reduction of nitroarenes and the construction of tetrazole rings all in one step via a domino protocol. High to excellent yields were obtained for both nitro reduction and the direct preparation of 1-substituted-1H-1,2,3,4-tetrazoles from nitro compounds. Insight into the mechanism was conducted by XPS in situ as well as DLS in situ along with several control experiments. Recyclability of the catalyst was studied for 6 consecutive runs along with metal leaching measurements in each cycle.

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

Recently I am researching about CORRELATED MOLECULAR CALCULATIONS; INDEPENDENT CHEMICAL-SHIFTS; PI-ELECTRON DELOCALIZATION; GAUSSIAN-BASIS SETS; THEORETICAL CALCULATION; IONIZATION-POTENTIALS; OVERTONE SPECTROSCOPY; QUANTITATIVE CONCEPT; AB-INITIO; RESONANCE, Saw an article supported by the SERB from the Department of Science and Technology (DST) Government of India, New Delhi [EMR/2016/001090]; UGC, Government of IndiaUniversity Grants Commission, India; DST, Government of IndiaDepartment of Science & Technology (India); U.S. National Science FoundationNational Science Foundation (NSF) [CHE-1661604]; IITK. Published in AMER INST PHYSICS in MELVILLE ,Authors: Dey, S; Manogaran, D; Manogaran, S; Schaefer, HF. The CAS is 100-19-6. Through research, I have a further understanding and discovery of 1-(4-Nitrophenyl)ethanone. Recommanded Product: 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.

Recommanded Product: 1-(4-Nitrophenyl)ethanone. Welcome to talk about 100-19-6, If you have any questions, you can contact Dey, S; Manogaran, D; Manogaran, S; Schaefer, HF or send Email.

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