Month: April 2022

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Journal of Molecular Structure called Energetic features of antiparallel stacking and hydrogen bonding interactions in two coordination complexes bearing 1,10-phenanthroline-2,9-dicarboxylic acid, Author is Akbari, Mahmood; Mirzaei, Masoud; Saljooghi, Amir Sh; Sadeghzadeh, Samaneh; Lotfian, Nahid; Aghamohammadi, Maral; Notash, Behrouz; Mague, Joel T.; Gomila, Rosa M.; Frontera, Antonio, which mentions a compound: 66-71-7, SMILESS is C1=CC3=C(C2=NC=CC=C12)N=CC=C3, Molecular C12H8N2, HPLC of Formula: 66-71-7.

Two new metal-organic complexes, [Co(phen)(PDA)H2O]·CH3CN·H2O (1), (phen = 1,10-phenanthroline, PDA = 1,10-phenanthroline-2,9-dicarboxylate) and [Ce2(PDA)3(H2O)2]·3H2O (2) have been synthesized and characterized by elemental anal., IR spectroscopy, and single-crystal X-ray crystallog. Structural characterization by single-crystal X-ray diffraction shows that in 1 the cobalt ion forms a discrete seven-coordinated complex with a distorted pentagonal bipyramidal geometry around the metal center. These discrete units are further packed into 3-D supramol. assemblies by different kinds of the noncovalent interactions. Complex 2 consists of a 1D coordination polymeric structure with the cerium ion coordinated by PDA and water in the form of left-handed and right-handed helixes. The extended aromatic systems of PDA and phen have a strong tendency to establish antiparallel π···π stacking interactions generating interesting assemblies in the solid state of 1. They have been studied theor. using DFT calculations and characterized by means of the quantum theory of “”atoms-in-mols.”” (QTAIM) and the noncovalent interaction (NCI) plot methods. This study is useful to understand in more detail the energetic and structural stability of these categories of metal-organic complexes. The results reported herein suggest that the antiparallel π-stacking interactions involving the neutral and, in principle innocent, phen auxiliary ligand are energetically very relevant in the solid state of 1.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Kumaran, Elumalai; Leong, Weng Kee published an article about the compound: 5-Fluoroindoline( cas:2343-22-8,SMILESS:FC1=CC2=C(NCC2)C=C1 ).Reference of 5-Fluoroindoline. 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:2343-22-8) through the article.

Gold nanoclusters were good catalyst precursors for the catalytic dehydrogenation of indolines to obtain indoles I [R1 = H, 5-Me, 5-F, 5-Br, 5-NO2, 6-NO2; R2 = H, Me, CO2Me, CO2Et]. Furthermore, this method was used to synthesize quinolines and quinazolines II [R3 = H, 4-ClC6H4, 2-furyl, etc.; R4 = H, 6-Br, 6,8-di-Br; X = CH, N] from tetrahydroquinolines and tetrahydroquinazolines. The catalytically active species was presumably Au(0) nanoparticles.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 18583-60-3, is researched, Molecular C9H10BKN6, about Di-μ-azido-bis{[hydrotris(pyrazol-1-yl)borato]copper(II)}, the main research direction is copper azido pyrazolylborato preparation crystal structure; mol structure copper azido pyrazolylborato.Application In Synthesis of Potassiumtris(1-pyrazolyl)borohydride.

Crystals of the title compound are monoclinic, space group P21/n, with a 7.515(1), b 13.363(2), c 13.285(2) Å, β 93.65(1)°; Z = 2, dc = 1.590; R = 0.049, Rw(F2) = 0.110 for 2605 reflections. The mol. is located at a crystallog. inversion center. The two Cu atoms have distorted square-pyramidal coordination and are bridged by two end-on azide groups. Weak C-H···N contacts result in a two-dimensional network with base vectors [101] and [010], parallel to the (101̅) plane.

The article 《Di-μ-azido-bis{[hydrotris(pyrazol-1-yl)borato]copper(II)}》 also mentions many details about this compound(18583-60-3)Application In Synthesis of Potassiumtris(1-pyrazolyl)borohydride, you can pay attention to it, because details determine success or failure

Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

SDS of cas: 18583-60-3. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Potassiumtris(1-pyrazolyl)borohydride, is researched, Molecular C9H10BKN6, CAS is 18583-60-3, about Two-stage hybrid constructed wetland-microbial fuel cells for swine wastewater treatment and bioenergy generation. Author is Ren, Baiming; Wang, Tongyue; Zhao, Yaqian.

A newly emerged alum sludge-based hybrid constructed wetland-microbial fuel cells (CW-MFCs), i.e. vertical upflow CW coupled MFC as 1st stage and horizontal subsurface flow CW coupled MFC as 2nd stage (VFCW-MFC + HSSFCW-MFC), was firstly developed for swine wastewater treatment and electricity generation. Swine wastewater and multi-set air-cathodes were applied to investigate the pollutants removal behavior and the power production Six-month trial suggested that the overall removal efficiency of SS, COD, NH+4-N, NO-3-N, TN, TP and PO3-4-P was 76 ± 12.4, 72 ± 7.4, 59 ± 28.3, 69 ± 25.6, 47 ± 19.7, 85 ± 9.5 and 88 ± 8.7%, resp. The two stages hybrid system (VFCW-MFC + HSSFCW-MFC) continuously generated elec. power with average voltages of 0.44 ± 0.09 and 0.34 ± 0.09 V, and power densities of 33.3 ± 13.81 and 9.0 ± 2.5 mW/m3 in 1st and 2nd stage, resp. The average net energy recovery (NER) of 1st stage and 2nd stage is in turn 0.91 ± 0.16 and 2.76 ± 0.70 Wh/kg·COD. It indicates that the hybrid CW-MFCs has higher removal efficiency than single stage CW-MFC, while 1st stage plays the major role both in pollutants removal and power generation.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Journal of the American Chemical Society called Homogeneous asymmetric hydrogenation of functionalized ketones, Author is Kitamura, Masato; Ohkuma, Takeshi; Inoue, Shinichi; Sayo, Noboru; Kumobayashi, Hidenori; Akutagawa, Susumu; Ohta, Tetsuo; Takaya, Hidemasa; Noyori, Ryoji, which mentions a compound: 53636-17-2, SMILESS is C[C@H](O)CN(C)C, Molecular C5H13NO, Electric Literature of C5H13NO.

Under the influence of the (R)- or (S)-BINAP-based Ru(II) complexes [BINAP = 2,2′-bis(diphenylphosphino)-1,1′-binaphthyl], a wide range of functionalized ketones are hydrogenated in a highly enantioselective and predictable manner. The hydrogenation proceeds smoothly in alc. media at room temperature with initial hydrogen pressure of 40-100 atm. The substrate to catalyst mole ratio ranges from 230 to 2200. Ru complexes of the type RuX2(binap) (X = Cl, Br), Ru2Cl4(binap)2NEt3, or Ru(OAc)2(binap) are employable as catalysts, depending on the substrates. Various functionalities including dialkylamino, hydroxyl, alkoxyl, siloxyl, keto, alkoxycarbonyl, alkylthiocarbonyl, dialkylaminocarbonyl, carboxyl, etc., can act as the efficient directive group. Neighboring halogen atoms also strongly affect the stereochem. outcome. Certain α- and β-diketones are hydrogenated to give isomeric diols by double stereodifferentiation; relative importance of efficacy of the catalyst/carbonyl chirality transfer and structural effect of the initially formed chiral hydroxy ketone intermediate is highly dependent on the ketonic substrates.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Potassiumtris(1-pyrazolyl)borohydride, is researched, Molecular C9H10BKN6, CAS is 18583-60-3, about Carbon-Hydrogen Bond Activation in Hydridotris(pyrazolyl)borate Complexes of Iridium, the main research direction is crystal structure pyrazolyl borate iridium complex; mol structure pyrazolyl borate iridium complex; carbon hydrogen bond activation pyrazolyl borate iridium complex; pyrazolyl borate iridium complex preparation structure.Product Details of 18583-60-3.

The CH2Cl2 solutions of the tris(1-pyrazolyl)borate (Tp) complexes TpIr(PPh3)(C2H4) or TpIr(C2H4)2 react with excess PPh3 via activation of a pyrazole C-H bond to form equilibrium mixtures of TpIr(PPh3)(C2H4), (N,C5,N-Tp-H)Ir(PPh3)2H (1), and free ethylene upon standing at room temperature Complete conversion to 1 was accomplished by removing the displaced ethylene. The hydride complex 1 was purified by protonation at the unbound N of the pyrazole ring to afford cationic complex [(N,C5,N-Tp)HIr(PPh3)2]BF4 (2). Deprotonation of 2 affords complex 1 in good yield and purity. The structures of 1 and 2 were elucidated using 1H and 13C NMR spectroscopy. The structures of TpIr(C2H4)2 and complex 2 (CH3CN solvate) were verified by x-ray crystallog. Reaction of isolated complex 1 with ethylene regenerates TpIr(PPh3)(C2H4) in a reaction that is strongly inhibited by added PPh3.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-Fluoroindoline( cas:2343-22-8 ) is researched.Application In Synthesis of 5-Fluoroindoline.Jin, Ning; Pan, Changduo; Zhang, Honglin; Xu, Pan; Cheng, Yixiang; Zhu, Chengjian published the article 《Rhodium-Catalyzed Direct C7 Alkynylation of Indolines》 about this compound( cas:2343-22-8 ) in Advanced Synthesis & Catalysis. Keywords: triisopropylsilylethynylindolinylethanone preparation; acetylindoline TIPS EBX alkynylation rhodium catalyst. Let’s learn more about this compound (cas:2343-22-8).

An efficient rhodium(III)-catalyzed direct C7 alkynylation of indoline C-H bonds e.g., I with the alkynylated hypervalent iodine reagents II (R = triisopropylsilyl, t-butyldimethylsilyl, trimethylsilyl, triethylsilyl) has been developed. This reaction proceeds smoothly under mild conditions over a wide structural scope with high site-selectivity and excellent functional-group tolerance.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 18583-60-3, is researched, SMILESS is [BH-](N1N=CC=C1)(N2N=CC=C2)N3N=CC=C3.[K+], Molecular C9H10BKN6Journal, Organometallics called Polyazolyl Chelate Chemistry. 6. Bidentate Coordination of HB(pz)3 (pz = Pyrazol-1-yl) to Ruthenium and Osmium: Crystal Structure of [RuH(CO)(PPh3)2{κ2-HB(pz)3}], Author is Burns, Ian D.; Hill, Anthony F.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T., the main research direction is crystal structure trispyrazolylborato hydrido bisphosphine ruthenium; mol structure trispyrazolylborato hydrido ruthenium bisphosphine; ruthenium trispyrazolylborato hydrido preparation structure metathesis; pyrazolylborato ruthenium hydrido preparation structure metathesis; polyazolylborato ruthenium hydrido preparation structure metathesis; osmium polyazolylborato hydrido preparation; thiocarbonyl polyazolylborato osmium ruthenium preparation.Related Products of 18583-60-3.

The reactions of [RuHCl(CO)(PPh3)3], [Ru(SnPh3)Cl(CO)(PPh3)2], or [RuH(CO)(NCMe)2(PPh3)2]BF4 with K[HB(pz)3] (pz = pyrazol-1-yl) provide the crystallog. characterized complex [RuH(CO)(PPh3)2{η2-HB(pz)3}], thermolysis of which proceeds via loss of phosphine and formation of [RuH(CO)(PPh3){η3-HB(pz)3}]. The thiocarbonyl analog [RuH(CS)(PPh3)2{η2-HB(pz)3}] is similarly obtained by the reaction of [RuHCl(CS)(PPh3)3] and K[HB(pz)3], thermolysis of which provides [RuH(CS)(PPh3){η3-HB(pz)3}]. Hydride metathesis in CHCl3 of this species provides [RuCl(CS)(PPh3){η3-HB(pz)3}]. [RuH(CS)(PPh3)2{η2-H2B(bta)2}] (bta = benzotriazolyl) results from the reaction of [RuHCl(CS)(PPh3)3] with K[H2B(bta)2]. The hydride-bridged dinuclear complex [RuCu(μ-H)(CO)(PPh3)2{η3-HB(pz)3}]PF6 results in high yield from the reaction of [RuH(CO)(PPh3)2{η2-HB(pz)3}], with [Cu(NCMe)4]BF4. The σ-Ph complex [OsPh(CO)(PPh3)2{η2-HB(pz)3}] results from the reaction of [OsPhCl(CO)(PPh3)2] with K[HB(pz)3] and is cleanly converted with heating to [OsPh(CO)(PPh3){η3-HB(pz)3}].

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Structural, thermal, electronic, vibrational, magnetic, and cytotoxic properties of chloro(glycinato-N,O)(1,10-phenanthroline-N,N’)-copper(II) trihydrate coordination complex, published in 2022-01-31, which mentions a compound: 66-71-7, Name is 1,10-Phenanthroline, Molecular C12H8N2, SDS of cas: 66-71-7.

Chloro(glycinato-N,O)(1,10-phenanthroline-N,N’)-copper(II) trihydrate complex was synthesized through the slow evaporation method. The crystal’s structural, thermal, magnetic, and vibrational properties were obtained by x-ray powder diffraction (XRPD), thermal analyses, magnetization, Raman, and FTIR spectroscopy. XRPD results showed that the crystalline complex belongs to a monoclinic system (P21/n). Thermal analyses revealed that around 333 K, the material undergoes a thermodynamically irreversible process. Magnetic data showed a paramagnetic behavior with weak ferromagnetic interactions. Also, all the Raman- and IR-active bands were assigned from computational calculations based on the d. functional theory (DFT) to analyze intra-mol. vibrational modes. The cytotoxic assay on colorectal cancer cells was performed to evaluate the antitumor activity of this ternary compound Therefore, the antineoplastic activity of [Cu(1,10-phenanthroline)(glycine)Cl]·3H2O complex in HCT-116 cells was confirmed, showing a potent cytotoxic effect.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Electric Literature of C9H7NO3. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 6-Acetylbenzo[d]oxazol-2(3H)-one, is researched, Molecular C9H7NO3, CAS is 54903-09-2, about Towards understanding the role of Lewis acid on the regioselectivity and mechanism for the acetylation reaction of 2-benzoxazolinone with acetyl chloride: a DFT study. Author is Yahia, Wassila; Nacereddine, Abdelmalek Khorief; Liacha, Messaoud.

A theor. study of the role of the Lewis acid on the regioselectivity in the acylation reaction of 2-benzoxazolinone with acetyl chloride has been carried out through DFT calculations at the B3LYP/6-31G** level of theory. FMO anal. and DFT-based reactivity indexes predicted favorable of the 6-regioisomer product. Anal. of the potential energy surfaces indicates that this acylation reaction proceeds with high 6-regioselectivity due to the favorable interactions in this pathway. The results obtained corroborate very well with the exptl. data.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics