Tag: M.W:100-200

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, Article, Chemistry – An Asian Journal called Syntheses of 1H-Indoles, Quinolines, and 6-Membered Aromatic N-Heterocycle-Fused Scaffolds via Palladium(II)-Catalyzed Aerobic Dehydrogenation under Alkoxide-Free Conditions, Author is Yoo, Hyung-Seok; Yang, Yo-Sep; Kim, Soo Lim; Son, Seung Hwan; Jang, Yoon Hu; Shin, Jeong-Won; Kim, Nam-Jung, which mentions a compound: 2343-22-8, SMILESS is FC1=CC2=C(NCC2)C=C1, Molecular C8H8FN, Application of 2343-22-8.

Aromatic N-heterocycle-fused scaffolds such as indoles and quinolines I (R1 = H, 5-Me, 6-NH2, etc.; R2 = H, 2-Me, 2-C6H5, etc.; X = C, N) are important core structures found in various bioactive natural products and synthetic compounds Recently, various dehydrogenation methods with the help of alkoxides, known to significantly promote dihydro- or tetrahydro-heterocycles to be oxidized, were developed for the heterocycle synthesis. However, these approaches are sometimes unsuitable due to resulting undesired side reactions such as reductive dehalogenation. Herein, expedient syntheses of 1H-indoles, quinolines, and 6-membered N-heterocycle-fused scaffolds from their hydrogenated forms through palladium(II)-catalyzed aerobic dehydrogenation under alkoxide-free conditions are reported. A total of 48 compounds were successfully synthesized with a wide range of functional groups including halogens (up to 99% yield). These methodologies provide facile routes for various privileged structures possessing aromatic N-heterocycles without the help of alkoxides, in highly efficient manners.

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

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 Synthesis and pharmacological evaluation of antioxidant chalcone derivatives of 2(3H)-benzoxazolones, published in 2009, which mentions a compound: 54903-09-2, mainly applied to chalcone derivative benzoxazolone preparation antioxidant activity, Synthetic Route of C9H7NO3.

Chalcones featuring an analgesic/anti-inflammatory pharmacophore, i.e., the 2(3H)-benzoxazolone heterocycle, on the one hand, and a radical scavenger moiety, i.e., 2,6-di-t-butylphenol, on the other hand were synthesized by condensation of a ketone 2(3H)-benzoxazolone precursor with 3,5-di-t-butyl-4-hydroxybenzaldehyde. Among the various methods explored (acid homogeneous or heterogeneous catalysis, base catalysis), heterogeneous catalysis conditions using KSF Montmorillonite were found to be the most convenient. The E-geometry of the so-obtained chalcones was ascertained both by 1H and 13C-NMR spectroscopy as well as B3LYP/6-31G** quantum mechanics calculations Eight chalcones, e.g. I, were pharmacol. evaluated in vitro for their ability to prevent human low-d. lipoprotein (LDL) copper-induced oxidation using Cu2+ as oxidizing agent. I emerged as the most promising agent as it was able to inhibit copper-mediated human LDL oxidation with an activity ten times greater than that of Probucol, a reference antioxidant drug.

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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: 66-71-7, is researched, Molecular C12H8N2, about Syntheses, structures and photocatalytic properties of ruthenium(II) complexes supported by a tetradentate cyclen ligand (cyclen = 1,4,7,10-tetraazacyclododecane), the main research direction is tetradentate cyclen tetraazacyclododecane ruthenium nitrogen ligand complex preparation electrochem; crystal mol structure tetraazacyclododecane ruthenium nitrogen ligand complex.Application of 66-71-7.

Treatment of [(cyclen)RuCl(dmso)]Cl (cyclen = 1,4,7,10-tetraazacyclododecane, dmso = dimethylsulfoxide, 1) with zinc powder in the presence of potassium hexafluorophosphate or sodium perchlorate in acetonitrile afforded the cationic complexes [(cyclen)Ru(dmso)(MeCN)]Q2 (Q = PF6 (2), ClO4 (3)). Interaction of 1, zinc powder and 4-tert-butylpyridine or pyridine in the presence of triethylamine and sodium perchlorate gave pyridine-ruthenium(II) complexes Na[(cyclen)Ru(dmso)(4-tBupy)](ClO4)3 (4) and [(cyclen)Ru(py)2](ClO4)2 (5), resp. While reactions of 1, zinc powder and 1,10-phenanthroline (phen) or 5,5′-dimethyl-2,2′-bipyridine (5,5′-Me2bpy) in the presence of triethylamine and potassium hexafluorophosphate gave bipyridine-ruthenium(II) complexes [(cyclen)Ru(phen)](PF6)2 (6) and [(cyclen)Ru(5,5′-Me2bpy)](PF6)2 (7), resp. Complexes 1-7 are characterized by IR, UV/Vis, NMR spectroscopies along with their electrochem. properties. The mol. structures of complexes 1-7 have been established by single-crystal x-ray diffraction. The photocatalytic properties of complexes 6 and 7 with a large π-electron delocalized system for the H2 evolution by water reduction were also investigated in the paper.

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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

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

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 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

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

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

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: 53562-86-0, is researched, Molecular C5H10O3, about Studies of co-modifier and carboxylic acid for the enantio-differentiating hydrogenation of 2-octanone over a tartaric acid in situ modified nickel catalyst, the main research direction is hydrogenation octanone tartarate nickel catalyst sodium pivalate.Product Details of 53562-86-0.

The effects of a co-modifier and carboxylic acid on the hydrogenation rate and the enantio-differentiating ability (e.d.a.) were studied for the hydrogenation of 2-octanone and Me acetoacetate over a tartaric acid modified reduced nickel catalyst. For the hydrogenation of 2-octanone, tartaric acid, pivalic acid, and Na+ were necessary for the appearance of the predominant e.d.a. Sodium pivalate, instead of the typical co-modifier, NaBr, was appropriate for the in situ modification of reduced nickel. The use of sodium pivalate resulted in a higher hydrogenation rate and e.d.a.

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