Category: benzodioxans

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5,5′-Dimethyl-2,2′-bipyridine, is researched, Molecular C12H12N2, CAS is 1762-34-1, about Four rare earth complexes with chlorinated carboxylic acids and bipyridine ligands: crystal structures, thermal analysis and luminescence properties, the main research direction is rare earth complex chlorinated carboxylic bipyridine crystal structure luminescence.Quality Control of 5,5′-Dimethyl-2,2′-bipyridine.

Four new complexes were successfully synthesized by solvothermal method or conventional solution method, namely [Ln2(5,5′-DM-2,2′-bipy)2 (3,4-DClBA)6 (H2O)(C2H5OH)](Ln=Sm(1), Eu(2)) and [Ln(5,5′-DM-2,2′-bipy)(3,5-DClBA)3]2 (Ln=Sm(3), Eu(4); 3,4-HDClBA=3,4-dichlorobenzoic acid, 3,5-HDClBA=3,5-dichlorobenzoic acid, 5,5′-DM-2,2′-bipy=5,5′-dimethyl-2,2′-bipyridine). Complexes 1 and 2 are isostructure and each metal center is eight-coordinated forming a distorted square antiprismatic. Complexes 1 and 2 are connected to form 2D supermol. structure by C-HCl hydrogen bonding and π-π interactions. The geometry of complex 3 is a nine coordinated distorted monocapped square antiprismatic, and the two-dimensional supramol. structure is formed by different π-π stacking interactions between mols. Thermogravimetric-IR combined technol. revealed the thermal stability and thermal decomposition mechanism of complexes 1∼4. The fluorescence and lifetime of complexes 2 and 4 were studied. The results showed that both complexes could emit the characteristic fluorescence of Eu3+ ions.

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

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5,5′-Dimethyl-2,2′-bipyridine(SMILESS: CC1=CN=C(C=C1)C1=NC=C(C)C=C1,cas:1762-34-1) is researched.Computed Properties of C5H9ClO2. The article 《An Organometallic Isostere of an Amino Acid》 in relation to this compound, is published in Inorganic Chemistry. Let’s take a look at the latest research on this compound (cas:1762-34-1).

Rhenium carbonyl complexes with substituted 2,2′-bipyridines I (2a-4a, X = Cl, R1, R2: H, H; EtOCO, Et; Fmoc, H; 2b-4b, X = Br, R1, R2: H, H; EtOCO, Et; Fmoc, H) were prepared as amino acid isosteres and resolved by chiral chromatog. An organometallic complex that mimics an amino acid, also known as an amino acid isostere, can be synthesized from a functionalized bipyridine ligand and a fac-[Re(CO)3]+ center. The reaction of an achiral ligand and metal results in a racemic mixture of chiral-at-metal complexes. These metal species have amine and carboxy termini, a side chain type unit that can be varied, as well as the chiral metal that is analogous to the α carbon of an amino acid. The racemic mixtures can be separated into enantiomers by chiral chromatog., and the metal complexes can be incorporated into peptides by using solid-phase peptide synthesis.

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

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5,5′-Dimethyl-2,2′-bipyridine( cas:1762-34-1 ) is researched.HPLC of Formula: 1762-34-1.Jaballi, Rim; Atoui, Dhieb; Maalej, Wassim; Babaryk, Artem; Horcajada, Patricia; Ben Salem, Ridha; Elaoud, Zakaria published the article 《A new mononuclear nickel complex with 5,5′-dimethyl-2,2′-bipyridine: Synthesis, structural investigation and catalytic properties》 about this compound( cas:1762-34-1 ) in Journal of Molecular Structure. Keywords: preparation crystal structure mononuclear nickel dimethylbipyridine selenate complex; Thermal decomposition mononuclear nickel dimethylbipyridine selenate complex; Heck Sonogashira coupling reaction nickel dimethylbipyridine selenate complex catalyst. Let’s learn more about this compound (cas:1762-34-1).

The new [Ni(dmbpy)(H2O)4]SeO4 (1) complex (dmbpy = 5,5′-dimethyl-2,2′-bipyridine or C12H12N2), based on mononuclear nickel(II) and bi-at. bridging ligands was successfully synthesized by hydrothermal method. The crystals were characterized by x-ray single-crystal diffraction, crystallizing in the monoclinic system, space group P21/c. Their crystal structure consists of metallic cations octahedrally coordinated by four water mols. and two nitrogen atoms coming from the organic mol. [NiN2O4], and a selenate anion (SeO4)2-. Their crystal packing is ensured by a three-dimensional network of O-H. O hydrogen bonds between the cation and anion moieties, and π… π interactions between the pyridine rings of the organic moieties of the same layer. The thermal anal. discloses dehydration between 148° and 210°, leading to an anhydrous compound [Ni(dmbpy)]SeO4. The study of vibrational absorption and Raman scattering spectra allows bringing addnl. information to those obtained by x-ray diffraction. The optical band gap was calculated from the UV-visible absorbance spectra using classical Tauc relation which is 3.58 eV. The catalytic evaluation of [Ni(dmbpy)(H2O)4]SeO4 on Heck and Sonogashira coupling reactions, activated by ultrasonic irradiation, results in encouraging yields for a very short times with a remarkable selectivity of the form (E) with respect to (Z) during the arylation of styrene, making this complex a promising catalyst for both types of reactions. The coupling products of the Heck and Sonogashira coupling reaction ((Z)-/(E)- Stilbene and Diphenylacetylene, resp.) were examined by 13C NMR and 1H NMR. These spectroscopic measurements provide extremely valuable information on the structure of the mols. obtained.

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

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5,5′-Dimethyl-2,2′-bipyridine( cas:1762-34-1 ) is researched.Category: benzodioxans.Maalej, Wassim; Jaballi, Rim; Rached, Asma Ben; Guionneau, Philippe; Daro, Nathalie; Elaoud, Zakaria published the article 《Supramolecular architectures of mononuclear nickel(II) and homobinuclear copper(II) complexes with the 5,5′-dimethyl-2,2′-bipyridine ligand: Syntheses, crystal structures and Hirshfeld surface analyses》 about this compound( cas:1762-34-1 ) in Journal of Molecular Structure. Keywords: nickel copper dimethylbipyridine complex preparation crystal structure; Hirshfeld surface analyses nickel copper dimethylbipyridine complex. Let’s learn more about this compound (cas:1762-34-1).

Two new compounds based on one mononuclear nickel(II) and one homobinuclear copper(II) complexes resp. and of general formula [Ni(dmbpy)2(CH3COO)]ClO4 (1) and [Cu2(dmbpy)2(CH3COO)3]ClO4 (2) with dmbpy = 5,5′-dimethyl-2,2′-bipyridine, were synthesized by hydrothermal treatment. Both were influenced by the coordinated acetate ion mol. The crystal and mol. structures of (1) and (2) were determined by single crystal x-ray diffraction method and both compounds were addnl. characterized by elemental and TGA, FTIR spectroscopy, powder X-ray diffraction and UV-visible. The mononuclear complex (1) shows a distorted octahedral geometry around the metal ion. However, the copper(II) compound crystallizes as an homobinuclear system, in which each of the metal ions is located into the N2O3 coordination spheres adopting a distorted square pyramidal geometry. In (2) the intramol. distance between two copper atoms is of the order of Cu1-Cu2 = 3.38(2) Å. In both crystals packing of these two complexes, H-bonding, π···π, and C-H···π interactions are operative in forming supramol. motifs. 1 Displays two 1D chains that lead to form R88(42) ring motifs, repetition of which generates a 2D supramol. network. These chains interacts with the neighboring ones via intermol. C-H···π and π···π stacking interactions, giving a 3D-stacking network (2D+1D→3D). Formation of a 2D supramol. sheet in the solid state structure of (2) is facilitated by the C-H···O, C-H···π and π···π interactions (1D+1D→2D). Hirshfeld surface anal. and theor. calculations were carried out on the two compounds C-H···O, C-H··· π and π···π stacking interactions play a paramount role in the stabilization of the supramol. architecture of (1) and (2). In addition, absorption spectra reveal their semi-conductive nature (4.19 eV for (1)·and 4.43 eV for (2)).

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

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 Theoretical and experimental study of torsional potentials, molecular structure (monomer and dimer), vibrational analysis and molecular characteristics of some dimethyl bipyridines, published in 2020-01-15, which mentions a compound: 1762-34-1, Name is 5,5′-Dimethyl-2,2′-bipyridine, Molecular C12H12N2, Application of 1762-34-1.

This study deals with the determination of torsional potentials, mol. geometry in monomer and dimer form and vibrational assignments of 4,4′-dimethyl-2,2′-bipyridine (4DB); 5,5′-dimethyl-2,2′-bipyridine (5DB); and 6,6′-dimethyl-2,2′-bipyridine (6DB) using quantum chem. calculations carried out by d. functional theory (DFT) employing B3LYP functional in conjunction with 6-311++G(d,p) basis set. Existence of inter-mol. hydrogen bonds was predicted. Fourier Transform IR (FTIR) and Fourier Transform Raman (FT-Raman) spectra were recorded and vibrational anal. of the mols. was made using potential energy distribution (PED) and eigen vectors obtained in the computations. Observed and calculated frequencies agreed with an rms error 9.20, 8.21, and 8.33 cm-1 for 4DB, 5DB, and 6DB, resp. 1H and 13C NMR spectra were simulated using time-dependent DFT ; compared with the recorded exptl. spectra of the samples in Chloroform-d (CDCl3) solvent and observed that the chem. shifts agree well with their theor. counterparts. Electronic transitions were analyzed using exptl. and simulated UV-Vis spectra of the three mols. Mol. characteristics like HOMO-LUMO; thermodn. parameters; and mol. electrostatic surface potential (MESP) quantified with natural charges obtained by NBO anal. are also investigated.

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

HPLC of Formula: 1762-34-1. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 5,5′-Dimethyl-2,2′-bipyridine, is researched, Molecular C12H12N2, CAS is 1762-34-1, about Slow magnetic relaxation and luminescence properties in neodymium(III)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands. Author is Vicente, Ramon; Tubau, Annia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S..

Five new eight-coordinated Nd(III) mononuclear complexes with the formulas [Nd(ntfa)3(EtOH)2] (1), [Nd(ntfa)3(phen)] (2), [Nd(ntfa)3(bipy)] (3), [Nd(ntfa)3(5,5′-Me2bipy)] (4) and [Nd(ntfa)3(4,4′-Mt2bipy)] (5), where ntfa = 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate, phen = phenanthroline, bipy = 2,2′-dipyridine, 5,5′-Me2bipy = 5,5′-dimethyl-2,2′-dipyridine, and 4,4′-Mt2bipy = 4,4′-dimethoxy-2,2′-dipyridine, were synthesized and structurally characterized. Magnetic measurements were carried out on complexes 2-5. Dynamic magnetic studies revealed single-mol. magnet (SMM) behavior for complexes 2, 4 and 5 with anisotropy energy barriers and preexponential factors of Ueff = 18 cm-1, τ0 = 2.2 x 10-7 s; Ueff = 31 cm-1, τ0 = 1.0 x 10-9 s and Ueff = 19 cm-1, τ0 = 8.7 x 10-8 s, resp. The ancillary chelating bipyridyl ligands in complexes 2-5 greatly enhance the solid state luminescence emission in the visible and NIR regions through efficient energy transfer from the ligands to the central Nd3+ ion. This study highlights the bifunctionality of the Nd(III) complexes.

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

Li, Ying-Ying; Ren, Ning; He, Shu-Mei; Wang, Shu-Ping; Zhang, Jian-Jun published an article about the compound: 5,5′-Dimethyl-2,2′-bipyridine( cas:1762-34-1,SMILESS:CC1=CN=C(C=C1)C1=NC=C(C)C=C1 ).Synthetic Route of C12H12N2. 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:1762-34-1) through the article.

By using conventional solution method, two novel binuclear lanthanide complexes, [Eu(2,6-DMBA)3(5,5′-DM-2,2′-bipy)]2(1), and [Sm(2,6-DMBA)3(5,5′-DM-2,2′-bipy)]2(2) (2,6-DMBA = 2,6-dimethylbenzoate, 5,5′-DM-2,2′-bipy = 5,5′-dimethy-2,2′-bipyridine), have been synthesized at room temperature The two complexes are characterized by element anal., single-crystal X-ray diffraction analyses and powder X-ray diffraction. The single-crystal analyses results indicate they are isomorphous in the monoclinic space group of P2(1)c. The binuclear complexes 1 and 2 are linked to form 1D, 2D supramol. structures through the same C-H···O hydrogen bonding interactions. The thermal decomposition process of these complexes is investigated by TG-DSC/FTIR technol. and the FTIR spectra of the escaped gas also are measured. In addition within a temperature range from 295.15 K to 410.15 K, heat capacities of the title complexes are measured by a DSC instrument, which indicates that no phase transition occurs in this range, and the heat capacity values of the complexes gradually increases with rising temperature Not only that, the thermodn. functions values (HT-H298.15K) and (ST-S298.15K) of the complexes 1 and 2 are calculated according to the fitted polynomial equations and the thermodn. equation. The luminescent behavior of complex 1 is investigated in the solid state. The complex 1 with Eu3+ ion shows strong red luminescence behavior, and the luminescence lifetime and fluorescent quantum yield are calculated to be 1.442 ms and 18.96%.

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

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 Thermodynamics of the Adsorption of Isomeric Dipyridyls and Their Derivatives from Water-Organic Solutions on HYPERCARB Porous Graphitic Carbon, published in 2019-09-30, which mentions a compound: 1762-34-1, Name is 5,5′-Dimethyl-2,2′-bipyridine, Molecular C12H12N2, Computed Properties of C12H12N2.

High-performance liquid chromatog. is used under near-equilibrium conditions to study the adsorption of isomeric dipyridyls and their derivatives from water-acetonitrile, water-methanol, and water-isopropanol solutions onto Hypercarb graphite-like carbon material in the region of Henry’s law. It is shown that the possibility of forming strong intramol. C-H-N’-hydrogen bonds in a mol. of 2,2′-dipyridyl or its derivatives strengthens the adsorption bonding of adsorbate mols. and the surface of the graphite-like material due to stabilization of their planar conformation. Destabilizing this intramol. hydrogen bond by adding substituents in different positions of the pyridine rings enhances the specific intermol. interaction between adsorbate mols. and the solvent’s components and distorts the planar conformation of dipyridyls, weakening their retention on the Hypercarb material. Pos. adsorption from the water-organic medium on the carbon adsorbent is observed for all of the investigated dipyridyls, with the exception of 2,2′-dipyridyl-N,N’-dioxide, which is adsorbed weaker than the solvent components. Anomalous medium-property dependences are found for the thermodn. characteristics of the adsorption of dipyridyls on porous graphitic carbon, and are attributed to the predominance of adsorbate-adsorbent π-π interactions over hydrophobic ones and the resolvation of adsorbate mols. with acetonitrile in proportion to lowering the content of water in the bulk solution

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

COA of Formula: C12H12N2. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 5,5′-Dimethyl-2,2′-bipyridine, is researched, Molecular C12H12N2, CAS is 1762-34-1, about Copper-functionalized nanostructured silica-based systems: Study of the antimicrobial applications and ROS generation against gram positive and gram negative bacteria. Author is Diaz-Garcia, Diana; Ardiles, Perla R.; Diaz-Sanchez, Miguel; Mena-Palomo, Irene; del Hierro, Isabel; Prashar, Sanjiv; Rodriguez-Dieguez, Antonio; Paez, Paulina L.; Gomez-Ruiz, Santiago.

A series of copper-functionalized SBA-15 (Santa Barbara Amorphous) materials containing the ligands triethoxysilylpropylmaleamic acid (maleamic) or triethoxy-3-(2-imidazolin-1-yl)propylsilane (imidazoline) have been prepared The nanostructured silica-based systems SBA-maleamic, SBA-imidazoline, SBA-maleamic-Cu and SBA-imidazoline-Cu were characterized by several methods observing that the functionalization took place mainly inside the pores of the mesoporous system. The antimicrobial behavior of the synthesized materials against Staphylococcus aureus and Escherichia coli was tested observing a very potent activity of the copper-functionalized systems (min. inhibitory concentration (MIC) and min. bactericidal concentration (MBC) values for SBA-maleamic-Cu of ca. 31.25 μg/mL, which correspond with ca. 1.13 μg/mL of Cu). A study of the oxidative stress promoted by the synthesized materials showed that the SBA-maleamic-Cu and the SBA-imidazoline-Cu were able to increase the reactive oxygen species (ROS) production in S. aureus by 427% and 373%, resp., while this increase was slightly lower in E. coli (387 and 324%, resp.). Furthermore, an electrochem. study was carried out in order to determine if these materials interact with lysine or alanine to validate a potential antimicrobial mechanism based on the inhibition of the synthesis of the peptidoglycan of the bacterial wall. Finally, these studies were also performed to determine the potential interaction of the copper-containing materials with glutathione in order to assess if they are able to perturb the metabolism of this tripeptide.

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

COA of Formula: C12H12N2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5,5′-Dimethyl-2,2′-bipyridine, is researched, Molecular C12H12N2, CAS is 1762-34-1, about Regulating the magnetic dynamics of mononuclear β-diketone Dy(III) single-molecule magnets through the substitution effect on capping N-donor coligands. Author is Xi, Jing; Ma, Xiufang; Cen, Peipei; Wu, Yuewei; Zhang, Yi-Quan; Guo, Yan; Yang, Jinhui; Chen, Lei; Liu, Xiangyu.

A series of five mononuclear β-diketonate-Dy(III) complexes, with formulas Dy(ntfa)3(Br-bpy) (1), Dy(ntfa)3(Br2-bpy) (2), Dy(ntfa)3(5,5-(CH3)2-bpy) (3), Dy(ntfa)3(4,4-((CH3)3)2-bpy) (4) and Dy(ntfa)3(4,4-(CH3)2-bpy) (5) (ntfa = 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione, Br-bpy = 5-bromo-2,2′-bipyridine, Br2-bpy = 4,4′-dibromo-2,2′-bipyridine, 5,5-(CH3)2-bpy = 5,5′-di-methyl-2,2′-bipyridine, 4,4-((CH3)3)2-bpy = 4,4′-di-tert-butyl-2,2′-bipyridine, and 4,4-(CH3)2-bpy = 4,4′-di-methyl-2,2′-bipyridine), have been prepared by altering the capping N-donor coligands. Dy(III) ions in all complexes possess N2O6 octa-coordinated environments, displaying a distorted square antiprismatic D4d symmetry in complexes 1-4, as well as a triangular dodecahedron D2d symmetry in 5. Magnetic investigations evidence the SIM behavior in the five complexes with the energy barriers (Ueff) of 104.19 K (1), 122.93 K (2), 84.20 K (3), 64.16 K (4) and 80.23 K (5) under zero applied dc field. The potential QTM effects in the title complexes are successfully suppressed in the presence of the extra applied fields. The crystal field parameters and orientations of the magnetic easy axes were obtained from the simulation of the magnetic data and the electrostatic model calculation The distinct electronic effects originating from the subtle changes of the substituents on the capping N-donor coligands induce varying coordination microenvironments and geometries on the Dy(III) sites, further drastically impacting the overall magnetic properties of the title complexes. The disparities of the uniaxial anisotropy and the magnetic dynamics for 1-5 have been elucidated by ab initio calculations as well.

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