Category: chiral-oxygen-ligands

COA of Formula: C6Cl2N4. 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. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about The role of the size of aza-crown recognition moiety in azaphthalocyanine fluorescence sensors for alkali and alkaline earth metal cations.

A series of fluorescence sensors bearing one 1-aza-12-crown-4, 1-aza-15-crown-5, 1-aza-18-crown-6 or 1-aza-21-crown-7 as a recognition moiety and an aza-analog of phthalocyanine as a fluorophore was prepared All compounds absorbed and emitted light in the red region. Sensing properties based on intramol. charge transfer were studied via absorption and fluorescence titration experiments with alkali metal cations and alk. earth metal cations. Important relationships between aza-crown size and binding affinity were observed in the group of alkali metal cations. Affinity for lithium decreased in series from the smallest crown to the largest, 1-aza-15-crown-5 bound sodium and potassium similarly, and 1-aza-18-crown-6 had the highest affinity to potassium. Alk. earth metal cations were bound more tightly, which was obvious from more pronounced changes in the absorption spectra, and from the higher increase of fluorescence upon cation addition A limited size preference was observed in the group of alk. earth metal cations.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Computed Properties of C7H13NO2. 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. Compound: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Synthesis of analogs of N-(2-chloroethyl)-N’-(trans-4-methylcyclohexyl)-N-nitrosourea for evaluation as anticancer agents.

Of several nitrosourea derivatives [X(CH2)2N(NO)CONHR (X = Cl, F; R = substituted cyclohexyl, 2-methyl-1,3-dithian-5-yl or its S, S, S’, S’-tetraoxide)] prepared and tested against murine leukemia L210 almost all were active, giving cure rates ≥50% at ≤LD10 doses. In 4 of the 5 fluoroethyl analogs activity was clearly inferior to the corresponding chloroethyl compounds Most of the more active analogs contained a 4-substituted cyclohexyl group. Activity in relation to structure, partition coefficient, and cis-trans isomerism is discussed.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

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: 616-43-3, is researched, Molecular C5H7N, about Scientific investigation of the paint and adhesive materials used in the Western Han dynasty polychromy terracotta army, Qingzhou, China, the main research direction is polychromy terracotta paint adhesive arcaheol China.Recommanded Product: 616-43-3.

A royal tomb of early period of the Western Han dynasty (206 B.C-8 A.D) was excavated by archaeologists in Qingzhou County, Shandong Province in 2006. Over 2000 polychromy terracotta soldiers, horses, chariots, servants etc. were unearthed from the tomb. All the terracotta figures are one quarter or one sixth as large as the livings, most of them were painted with well designed patterns. In order to gain complete information about the materials and techniques used for the polychromy on the terracotta army, five samples from the painted areas were taken. In addition, one sample from the area to adhere one leg to the polychromy horse body was also obtained. The anal. techniques applied include XRF, FTIR, Py-GC/MS and GC/MS. Chinese purple, cinnabar, lead red and ochre were used as pigments, while animal glue was identified as binding medium and adhesive in the polychromy terracotta army in the Han Dynasty. The results definitely will provide new evidence about the materials and technologies used in Han Dynasty. Especially, the binding medium identified is different in comparison with Qin Shihuang’s terracotta army (259-210 BC).

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Synthetic Route of C6Cl2N4. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Studies on herbicidal 2,3-dicyanopyrazines. Part II. Structure-activity relationships of herbicidal 5-ethylamino- and 5-propylamino-2,3-dicyanopyrazines. Author is Nakamura, Akira; Ataka, Toshiei; Segawa, Hirozo; Takeuchi, Yasutomo; Takematsu, Tetsuo.

Sixty-eight 6-substituted 5-ethylamino- and 5-propylamino-2,3-dicyanopyrazines were synthesized and their herbicidal activities against barnyard grass (Echinochloa crus-galii) were measured in pot tests. The most active compound was 2,3-dicyano-5-propylamino-6-(m-chlorophenyl)pyrazine  [72113-45-2]. The activities of the 2 series of compounds were analyzed quant. using the hydrophobic and steric parameters of substituents at the 6-position of the pyrazine ring and an indicator variable.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3-Methyl-1H-pyrrole( cas:616-43-3 ) is researched.Category: chiral-oxygen-ligands.Gatti, Carlo; Frigerio, Giovanni; Benincori, Tiziana; Brenna, Elisabetta; Sannicolo, Franco; Zotti, Gianni; Zecchin, Sandro; Schiavon, Gilberto published the article 《Steric and Electronic Effects in Methyl-Substituted 2,2′-Bipyrroles and Poly(2,2′-Bipyrrole)s: Part II. Theoretical Investigation on Monomers》 about this compound( cas:616-43-3 ) in Chemistry of Materials. Keywords: pyrrole bipyrrole substituted steric electronic effect. Let’s learn more about this compound (cas:616-43-3).

The effects of N- and Cβ-Me substitution in pyrrole and 2,2′-bipyrrole were investigated through ab initio calculations and Atoms in Mols. anal. of the resulting wave functions. Replacement of a hydrogen atom with a Me group in pyrroles lowers the ionization potential, with substitution at C3 being more efficient than N-substitution because of the larger release of π population to the ring in the former case. Full geometry optimization at RHF/6-31G** level and as a function of the torsion angle τ between two adjacent rings demonstrates that the increasing loss of planarity in the 2,2′-bipyrrole, N,N’-dimethyl-2,2′-bipyrrole, and 3,3′-dimethyl-2,2′-bipyrrole series, adversely affects the pos. contributions expected from Me substitution. An intramol. interaction energy model shows that the greater anti-planarization energy of N,N’-dimethyl-2,2′-bipyrrole, as compared to 3,3′-dimethyl-2,2′-bipyrrole, is due to the larger decrease in the stabilizing electrostatic term and to the larger increase in the destabilizing nonbonding contribution which occurs at τ = 0° in the former. Calculations on the corresponding monocations and anal. of new conductivity measures on substituted poly(2,2′-bipyrrole)s suggest that the ease in achieving local chain planarity in doped polypyrroles should be more closely correlated to the anti-planarization energies of the charged monomers rather than to anti-planarization energies of the neutral monomers.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Application In Synthesis of 5,6-Dichloropyrazine-2,3-dicarbonitrile. 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. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Dicyanopyrazine studies. part IV: syntheses and solid state absorption spectra of new dicyanopyrazine dyes derived from dichlorodicyanopyrazine and Fischer’s type bases.

2-Chloro-5,6-dicyano-3-[2-(1,3,3-trimethylindolinylidene)methyl]pyrazine showed large differences in λmax from solution to the solid state resulting from strong intermol. π-π interactions. Related derivatives were synthesized by the nucleophilic substitution of 2,3-dichloro-5,6-dicyanopyrazine with various Fischer’s base type enamines. Absorption spectra, fluorescent properties and other phys. properties were correlated with their chem. structures. The PPP MO and MOPAC approach to evaluate their absorption spectra correlate with their conformations were conducted. Good correlation between the calculated and the exptl. results were obtained. The substituent effects of dicyanopyrazines affecting their chem., electronic, and phys. properties were also studied.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

COA of Formula: C6Cl2N4. 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: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Cyclotetramerisations of sulfanyl substituted pyrazine-2,3-dicarbonitriles and phthalonitriles. Author is Morkved, Eva H.; Pedersen, Frank M.; Afseth, Nils Kr.; Kjosen, Helge.

Pyrazine-2,3-dicarbonitriles, substituted with strong to moderate electron withdrawing sulfanyl groups, have been synthesized. One of these pyrazines, substituted with two 5-methyl-1,3,4-thiadiazole-2-sulfanyl groups, has shown significant anticancer reactivity. Two phthalonitriles, substituted with thiadiazole-sulfanyl groups have been synthesized. The reagents Zn(OAc)2 and Zn(quinoline)2Cl2, dissolved in quinoline, were reacted with the above monomers to obtain zinc azaphthalocyanines and phthalocyanines. Only zinc azaphthalocyanines with moderate electron withdrawing sulfanyl groups were obtained, whereas one phthalonitrile, substituted with two 5-methyl-1,3,4-thiadiazole-2-sulfanyl groups, gave the corresponding zinc phthalocyanine. Some pyrazine-2,3-dicarbonitriles, substituted with one 2-thienyl and one sulfanyl group, gave mixtures of the corresponding zinc azaphthalocyanine constitutional isomers. New compounds were characterised by elemental anal., UV-vis, IR, 1H and 13C NMR spectroscopies.

As far as I know, this compound(56413-95-7)COA of Formula: C6Cl2N4 can be applied in many ways, which is helpful for the development of experiments. Therefore many people are doing relevant researches.

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile(SMILESS: N#CC1=NC(Cl)=C(Cl)N=C1C#N,cas:56413-95-7) is researched.COA of Formula: C6Cl2N4. The article 《Syntheses and spectral properties of 2,3,7,8-tetracyano-5,10-dihydrodipyrazino[2,3-b:2′,3′-e]pyrazine》 in relation to this compound, is published in Journal of Heterocyclic Chemistry. Let’s take a look at the latest research on this compound (cas:56413-95-7).

Base catalyzed intermol. cyclization of 2-amino-3-chloro-5,6-dicyanopyrazines I (R = H, Me, Ph, 4-BuC6H4, etc.) gave 5,10-disubstituted-2,3,7,8-tetracyano-5,10-dihydrodipyrazino[2,3-b:2′,3′ -e]pyrazines II. These compounds have rather small mol. size but have strong intramol. charge-transfer chromophoric system. They have strong fluorescence in solution and some have fluorescence even in the solid state which are very important to evaluate their electroluminescence property as an emitter for electroluminescence devices. The phys., structural, and electronic properties of these new 2,3,7,8-tetracyano-5,10-dihydrodipyrazino[2,3-b:2’3′-e]pyrazines were studied using UV-visible spectroscopy and the PPP MO calculation method.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

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 New highly soluble phenoxy-substituted phthalocyanine and azaphthalocyanine derivatives: Synthesis, photochemical and photophysical studies and atypical aggregation behavior, published in 2012-11-30, which mentions a compound: 56413-95-7, Name is 5,6-Dichloropyrazine-2,3-dicarbonitrile, Molecular C6Cl2N4, Recommanded Product: 5,6-Dichloropyrazine-2,3-dicarbonitrile.

Zn phthalocyanines and corresponding aza-analog azaphthalocyanines substituted with peripheral 2,6-diisopropylphenoxy substituents containing different functional groups (Br, OCH3, and OH) were synthesized and their photophys. properties were studied. UV-visible and 1H NMR analyses confirmed the nonaggregation behavior of the prepared complexes in most organic solvents. All studied compounds showed good photophys. and photochem. properties in THF and DMF with ΦF values at 0.22-0.44 and ΦΔ values ranging between 0.42 and 0.57. Hydroxylated compounds showed good solubility in polar solvents including EtOH, MeOH, acetone and even in aqueous EtOH mixtures Absorption spectra in aqueous EtOH indicated presence of only monomers even at very low EtOH content in H2O (0.5% of EtOH in H2O). Despite this, no fluorescence occurred from ∼50% of EtOH in H2O suggesting presence of aggregates that do not differ from monomers in a shape of absorption spectra.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

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 characterization of non-aggregating octa-substituted azaphthalocyanines bearing bulky phenoxy substituents, published in 2008-09-08, which mentions a compound: 56413-95-7, mainly applied to azaphthalocyanine phenoxy preparation nucleophilic aromatic substitution phenol, Safety of 5,6-Dichloropyrazine-2,3-dicarbonitrile.

The synthesis and characterization of two novel series of octaazaphthalocyanines (AzaPc) bearing bulky phenoxy substituents are described. Target precursors to AzaPcs derivatives were prepared by using a nucleophilic aromatic substitution reaction between sterically hindered phenols (2,6-di-iso-propylphenol and 2,6-diphenylphenol) and 5,6-dichloropyrazine-2,3-dicarbonitrile. UV-vis and 1H NMR analyses confirm that steric isolation of the AzaPcs cores enforced both in the solution and in the solid state. This study explores the effectiveness of the steric factor imposed by the applied bulky phenoxy substituents on the packing behavior of azaphthalocyanines and thereby improving their solubility and photo-phys. properties.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate