Tag: M.W:100-200

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called The role of the solvent in the asymmetric hydrogenation of β-keto esters with Ru-BINAP, published in 2003-05-01, which mentions a compound: 53562-86-0, mainly applied to solvent asym hydrogenation keto ester ruthenium BINAP; transition metal solvent asym hydrogenation keto ester ruthenium BINAP; alkane asym hydrogenation keto ester ruthenium BINAP; ether asym hydrogenation keto ester ruthenium BINAP; ester asym hydrogenation keto ester ruthenium BINAP; alc asym hydrogenation keto ester ruthenium BINAP; haloalkane asym hydrogenation keto ester ruthenium BINAP; nitrile asym hydrogenation keto ester ruthenium BINAP; cyclic ether asym hydrogenation keto ester ruthenium BINAP; keto ester asym hydrogenation keto ester ruthenium BINAP, Recommanded Product: 53562-86-0.

The influence of the solvent on the asym. hydrogenation of Me acetoacetate, as a representative β-keto esters, with Ru-BINAP was studied. The catalyst used in this study was [(1R)-[1,1′-Binaphthalene]-2,2′-diylbis[diphenylphosphine-κP]]chloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]ruthenium(1+) chloride. [(1S)-[1,1′-Binaphthalene]-2,2′-diylbis[diphenylphosphine-κP]]chloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]ruthenium(1+) chloride was also used to give (3S)-3-Hydroxybutanoic acid Me ester from 3-oxobutanoic acid Me ester. The highest activities were measured when the reaction proceeded in methanol, ethanol or isopropanol. These solvents, which also act as proton donors, accelerate product release from the reaction intermediate. The presence of water in the reaction mixture has been found to be detrimental for both activity and enantioselectivity. All results could be explained by the existence of two different solvent dependent reaction pathways for product release.

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Huang, Yen-Kai; Tsai, Shau-Wei published an article about the compound: (S)-Methyl 3-hydroxybutanoate( cas:53562-86-0,SMILESS:C[C@H](O)CC(OC)=O ).Computed Properties of C5H10O3. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:53562-86-0) through the article.

Optically pure (R)-β-butyrolactone as an important chiral building block in the syntheses of various biol. active compounds and biodegradable polymers was prepared from (R,S)-β-butyrolactone through kinetic resolution Candida antarctica lipase B (CALB) with a high enantiomeric ratio of 198 enantioselectively catalyzed the ring opening of the racemate with methanol in Me tert-Bu ether at 45 °C and yielded the remaining (R)-β-butyrolactone. A detailed kinetic anal. indicated that methanol and (R)- and (S)-Me ester all acted as competitive inhibitors for the enzyme. Comparisons of the theor. and exptl. conversions for both enantiomers were further made and elucidated. The thermodn. anal. implied the enantiomer discrimination for the transition states of both enantiomers to be entropy-driven in the temperature range investigated. Moreover, preliminary results from the lipase reusability, feed-batch operation, and remaining substrate recovery were addressed.

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Zhao, Xue; Li, Xue; Zhang, Haibo; Chen, Xiao; Xu, Jian; Yang, Jun; Zhang, Hucai; Hu, Guangzhi published the article 《Atomic-dispersed copper simultaneously achieve high-efficiency removal and high-value-added conversion to ammonia of nitrate in sewage》. Keywords: copper ammonia nitrate sewage electrocatalytic wastewater treatment; Eliminate NO(3)(-); Nitrate sewage purification; Nitrogen oxides elimination; Single-atom Cu; Sustainable NH(3) synthesis.They researched the compound: 1,10-Phenanthroline( cas:66-71-7 ).SDS of cas: 66-71-7. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:66-71-7) here.

Environmentally friendly electrochem. reduction pathways from NO-3 to NH3 or N2 have provided feasible strategy into the green production of ammonia or the treatment of nitrate wastewater. Here, we anchored single-atom Cu with boron carbon nitride on carbon nanotube (BCN@Cu/CNT), and achieved the efficient operation of electrochem. nitrate reduction reaction (NIRR). BCN@Cu/CNT can efficiently catalyze the selective conversion of high-concentration nitrate into high-value-added ammonia, where the ammonia yield rate and Faradaic efficiency are as high as 172,226.5μg h-1 mg-1cat. and 95.32% (at -0.6 V), resp. BCN@Cu/CNT also shows the ability to efficiently remove low-concentration nitrates in sewage. Specifically, here only takes 5 h to nearly 100% (99.32%) eliminate NO-3 (50 mg L-1) in sewage without any residual NO-2. The excellent catalytic activity and physicochem. stability of BCN@Cu/CNT for NIRR suggest the promising industrial application prospects, including the green production of ammonia and the purification of nitrate wastewater.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5-Fluoroindoline, is researched, Molecular C8H8FN, CAS is 2343-22-8, about Manganese-Catalyzed Regioselective Dehydrogenative C- versus N-Alkylation Enabled by a Solvent Switch: Experiment and Computation, the main research direction is alkylindole benzylindole regioselective preparation; manganese catalyst regioselective dehydrogenative alkylation indoline alc; mechanism transition state structure free energy regioselective dehydrogenative alkylation.SDS of cas: 2343-22-8.

In the presence of an air-stable manganese(I) bis(diphenylphosphinoethyl)amine complex, indolines underwent regioselective alkylation and dehydrogenation reactions with alkyl and benzylic alcs. mediated by CsOH in either toluene or toluene/2,2,2-trifluoroethanol to yield 3-alkylindoles and 1-alkylindoles, resp. The mechanism was studied exptl. and by calculation of the transition states and their free energies for the alkylation; the reaction takes place through combined acceptorless dehydrogenation and hydrogen autotransfer reactions.

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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called New chiral ruthenium complexes for asymmetric catalytic hydrogenations, published in 1990-06-30, which mentions a compound: 53636-17-2, mainly applied to chiral ruthenium complex catalyst hydrogenation; asym hydrogenation ruthenium catalyst; crystal structure ruthenium binaphthyl complex, Product Details of 53636-17-2.

New mononuclear complexes Ru(OCOR)2(binap) [binap = bis(diphenylphosphino)-1,1′-binaphthyl, R = Me, Me3C] and cationic complexes [RuX(binap)(arene)]Y (X, Y = halo) have been prepared and characterized. These complexes and their derivatives are highly efficient catalysts for asym. hydrogenation of enamides, alkyl- and aryl-substituted acrylic acids, β,γ-unsaturated carboxylic acids, allylic and homoallylic alcs., and a variety of functionalized ketones such as β-keto esters and α-amino ketones.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1,10-Phenanthroline(SMILESS: C1=CC3=C(C2=NC=CC=C12)N=CC=C3,cas:66-71-7) is researched.Product Details of 53636-17-2. The article 《Exacerbated Protein Oxidation and Tyrosine Nitration through Nitrite-Enhanced Fenton Chemistry》 in relation to this compound, is published in Journal of Agricultural and Food Chemistry. Let’s take a look at the latest research on this compound (cas:66-71-7).

Nitrite is a common additive used during meat curing to prevent microbial contamination and retain an attractive red color in the product. However, the effects of nitrite on Fenton reactions catalyzed by free iron in meat products are not well understood, although such processes can induce protein oxidation and nitration, affecting the nutritional and aesthetic quality of meat products. This contribution reveals the mechanism through which nitrite affects Fenton reactions that generate reactive nitrogen and oxygen species by increasing the availability of Fe3+, facilitating its reduction and stabilizing Fe2+, and accelerating Fe3+/Fe2+ cycling, leading to exacerbated oxidative and nitrosative stress on proteins, with implications not only for meat processing but also in many biol. and environmental processes due to the ubiquitous presence of iron, hydrogen peroxide, and nitrite in nature.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong researched the compound: 1,10-Phenanthroline( cas:66-71-7 ).Quality Control of 1,10-Phenanthroline.They published the article 《3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence》 about this compound( cas:66-71-7 ) in ACS Omega. Keywords: lanthanide pyridylacetate phenanthroline complex preparation magnetic property; fluorescence thermal stability lanthanide pyridylacetate phenanthroline; crystal structure lanthanide pyridylacetate phenanthroline. We’ll tell you more about this compound (cas:66-71-7).

Four complexes from lanthanides, 3-pyridylacetate, and 1,10-phenanthroline, formulated as [Ln2(3-PAA)2(μ-Cl)2(phen)4](ClO4)2 [Ln = Gd(1), Dy(2), Eu(3), Tb(4), 3-PAA = 3-pyridylacetic acid, phen = 1,10-phenanthroline], were obtained. The four compounds were characterized by IR spectra, thermogravimetric analyses, powder X-ray diffraction, and single-crystal X-ray diffraction. Compounds 1-4 are isomorphous, and they have a dinuclear structure. Magnetic studies reveal that 1 shows the magnetocaloric effect with -ΔSmmax = 19.03 J kg-1 K-1 at 2 K for ΔH = 5 T, and 2 displays a field-induced single-mol. magnet with Ueff = 19.02 K. The photoluminescent spectra of 3 and 4 exhibit strong characteristic emission, which demonstrate that the ligand-to-EuIII/TbIII energy transfer is efficient.

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Piperazine – Wikipedia,
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Computed Properties of C12H8N2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1,10-Phenanthroline, is researched, Molecular C12H8N2, CAS is 66-71-7, about Synthesis, structural topologies and anticancer evaluation of phenanthroline-based 2,6-pyridinedicarboxylato Cu(II) and Ni(II) compounds. Author is Das, Amal; Sharma, Pranay; Gomila, Rosa M.; Frontera, Antonio; Verma, Akalesh K.; Sarma, Bipul; Bhattacharyya, Manjit K..

Two new coordination compounds of Cu(II) and Ni(II), viz. [Cu2(phen)(μ-2,6-PDC)(2,6-PDC)(H2O)2]·4·.5H2O (1) and [Ni(phen)(2,6-PDC)(H2O)]·2H2O (2) (phen = 1,10-phenanthroline; 2,6-PDC = 2,6-pyridinedicarboxylate), were synthesized under ambient conditions and further characterized using single crystal x-ray diffraction, FTIR, electronic spectroscopy, thermal and elemental anal. The compound 1 is a 2,6-PDC bridged dinuclear Cu(II) compound, whereas compound 2 crystallizes as a mononuclear Ni(II) compound Crystal structure anal. and DFT calculations reveal that the noncovalent cooperative π-stacking interactions involved in the supramol. association of the compounds are energetically significant. In vitro antiproliferative activities of the compounds were studied with the Da′s Lymphoma (DL) malignant cancer cell line using MTT cell viability and apoptosis assays. Both the compounds exhibit significant concentration dependent cell cytotoxicity and apoptotic cell death in DL cancer cells, with nominal effects for normal healthy PBMC cells. A decrease in the MMP (mitochondrial membrane potential) and a rapid increase of the ROS (reactive oxygen species) levels in DL cells corroborate the apoptotic cell death induced by the compounds To support the observed wet laboratory cytotoxicity in DL cancer cells, the authors have also carried out in silico mol. docking studies of the compounds with the active sites of antiapoptotic BCL family proteins. Both the Cu(II) and Ni(II) compounds exhibit significant interaction modes with the BCL family cancer target proteins. Pharmacophore features of the structures of the compounds were identified to establish a structure activity relation (SAR).

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Celik, Hayati; Buyukaga, Mahmure; Celebier, Mustafa; Turkoz Acar, Ebru; Baymak, Melek Sirin; Gokhan-Kelekci, Nesrin; Palaska, Erhan; Erdogan, Hakki published the article 《Determination of pKa Values of Some Benzoxazoline Derivatives and the Structure-Activity Relationship》. Keywords: ionization constant deprotonation benzoxazolinone derivative analgetic antiinflammatory drug SAR.They researched the compound: 6-Acetylbenzo[d]oxazol-2(3H)-one( cas:54903-09-2 ).Recommanded Product: 54903-09-2. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:54903-09-2) here.

The acid ionization constant (pKa) values of 2-(3H)-benzoxazolinone and its 17 derivatives were determined in buffered solutions by UV-vis spectrophotometry, potentiometry, and capillary zone electrophoresis techniques. The pKa values of the studied compounds were found to be in the range of 9.01 to 7.15. The advantages and limitations of each technique are discussed. The results suggest that the removal of a proton from the mol. occurred on the nitrogen atom of the 2-(3H)-benzoxazolinone ring and the analgesic/anti-inflammatory activities of the benzoxazolinone derivatives decrease when the pKa values of the compounds increase.

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Recommanded Product: 54903-09-2. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 6-Acetylbenzo[d]oxazol-2(3H)-one, is researched, Molecular C9H7NO3, CAS is 54903-09-2, about New halogenated chalcones with cytotoxic and carbonic anhydrase inhibitory properties: 6-(3-Halogenated phenyl-2-propen-1-oyl)-2(3H)-benzoxazolones. Author is Bilginer, Sinan; Gul, Halise I.; Erdal, Feyza S.; Sakagami, Hiroshi; Gulcin, Ilhami.

In this study, novel halogenated chalcones, 6-(3-halogenated phenyl-2-propen-1-one)-2(3H)-benzoxazolones (2a-n), were synthesized for the first time (except 2a), and their chem. structures were characterized by 1H NMR (NMR), 13C NMR, and high-resolution mass spectrometry spectra. Cytotoxic activities and carbonic anhydrase (CA) inhibitory effects of the compounds were studied to identify new possible drug candidate mols. Cytotoxicity results pointed out that compound 2m, 6-[3-(3-bromophenyl)-2-propenoyl]-2(3H)-benzoxazolone, had the highest cytotoxicity (CC50) and potency selectivity expression (PSE) values. Thus, compound 2m can be considered as a lead compound of the series in terms of cytotoxicity. When the CA inhibition results of the compounds were evaluated, it was found that the Ki values of the compounds ranged from 30.5 ± 11.3 to 65.5 ± 25.6 μM toward hCA I, and they ranged from 7.3 ± 1.8 to 58.8 ± 12.3 μM toward hCA II. However, the Ki values of the reference drug, acetazolamide (AZA), were 30.2 ± 7.8 and 4.4 ± 0.6 μM toward hCA I and hCA II, resp. According to the results obtained, compounds 2a-n had lower Ki values than AZA, whereas compounds 2a, 2b, 2e-g, 2l, and 2n had similar Ki values, compared with AZA. So, the compounds 2a, 2b, 2e-g, 2l, and 2n can be considered as lead mols. of this series for further considerations.

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