Category: chiral-oxygen-ligands

Donald, D. S.; Cheng, L. T.; Desiraju, G.; Meredith, G. R.; Zumsteg, F. C. published the article 《New second-order nonlinear optical organic crystals》. Keywords: nonlinear optical organic crystal; benzonitride derivative nonlinear optical; pyrazine derivative nonlinear optical.They researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).Formula: C6Cl2N4. 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:56413-95-7) here.

The design of mol. crystals with specific optical properties, which are thought to arise from constituent mols.’ polarizability properties, is a desirable but currently unachievable goal. One can partially achieve this goal by choosing compounds with specific mol. attributes and empirically determining the manner in which these are translated into crystal properties. Besides the fact that there are no certain rules for prediction of crystal packing arrangements, where is also a problem in specifying mol. properties from what are today incomplete polarizability structure-property relationships. We have, realizing these limitations, identified polarizability structure-property relationships. We have, realizing these limitations, identified new mol. crystals by a nonlinear optical (powder-SHG) scouting-screening program from lists of compounds chosen because of desirable mol. properties. Examination of successful materials has revealed interesting, new alignment motifs. Some of these materials, a set of halogen and cyano derivatives of aromatic compounds, are described relating properties and structures of mols. and crystals. In particular, the orientation directing influence of intermol. halogen-cyano interactions and the use of heterocyclic compounds to improve transparency in the near IR and in the blue and near UV spectral regions are demonstrated.

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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 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.Synthetic Route of C10H19NO3. The article 《Stable and Easily Accessible Functional Dyes: Dihydrotetraazaanthracenes as Versatile Precursors for Higher Acenes》 in relation to this compound, is published in Chemistry – A European Journal. Let’s take a look at the latest research on this compound (cas:56413-95-7).

A series of new dihydrotetraazaanthracenes and one new dihydrotetraazatetracene as substances for applications in organoelectronic devices and as suitable building blocks for higher azaacenes was synthesized. The condensation of aromatic diamines with dichlorodicyanopyrazine led to these tricyclic/tetracyclic compounds Syntheses of N-substituted phenylenediamines were developed to enable the introduction of multiple functional groups such as ester, amino, or nitro groups on the chromophoric system. Relationships between the structure and the spectroscopic properties could be derived from UV/Vis absorption and fluorescence spectroscopy, and by DFT and TD-DFT calculations of mol. and aggregate structures. The absorption spectra are dominated by π-π* transitions of the single mols., whereas aggregation needs to be taken into account to obtain reasonable agreement between theory and experiment in certain cases. Single-crystal x-ray analyses were carried out to examine the morphol. and solid packing effects. Finally, a dihydrotetraazaanthracene was used as a building-block to create a mesoionic octaazapentacene.

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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 reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Molecular orbital treatment of a new type of heteroaromatic compound》. Authors are Brown, R. D.; Coller, B. A. W..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Recommanded Product: 3-Methyl-1H-pyrrole. Through the article, more information about this compound (cas:616-43-3) is conveyed.

I, II, III, and IV are treated; of these only II is known (Boeckelheide and Windgassen, C.A. 52, 16355i). The present results indicate that all 4 compounds would be stable once formed. Resonance energies, π-electron d., and energies of excited states are given as a function of the electronegativity of N. Definite predictions of the position of highest reactivity toward electrophiles can be made for I and II; it is position 1 in either case.

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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 Cationic azaphthalocyanines bearing aliphatic tertiary amino substituents-Synthesis, singlet oxygen production and spectroscopic studies, published in 2006-09-30, which mentions a compound: 56413-95-7, mainly applied to cationic azaphthalocyanine tertiary amino substituent singlet oxygen generation, Application of 56413-95-7.

New cationic zinc azaphthalocyanines (AzaPc) were prepared using a statistical method of synthesis starting from 5,6-bis(2-diethylaminoethylsulfanyl)pyrazine-2,3-dicarbonitrile (A) and 5,6-bis(tert-butylsulfanyl)pyrazine-2,3-dicarbonitrile (B). All the six possible AzaPc derivatives were detected on TLC but only five of them were finally isolated using column chromatog. on silica (excluding AAAB type). The adjacent (AABB) and opposite (ABAB) isomers were well separated Singlet oxygen quantum yields (ΦΔ) were measured using the DPBF decomposition method. Values of ΦΔ in anhydrous DMF drastically decrease with the number of amino groups from 0.66 for BBBB type to 0.04 for AAAA type. The same dependence was observed in anhydrous DMF for the corresponding hydrochlorides. When DMF/water 95:5 added with HCl was used, the ΦΔ values for amino AzaPc increased to approx. 0.66. This suggests that solvation of the amino and Cl- ions plays an important role in the separation of the AzaPc mols. although no changes were found in UV-vis spectra. At least eight cationic charges are necessary for complete monomerization of AzaPc in water. Fewer charges lead to significant decrease of the absorption in the area of the Q-band and to pronounced dimeric character of the absorption spectrum.

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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: 56413-95-7, is researched, Molecular C6Cl2N4, about Cyclotetramerisations of sulfanyl substituted pyrazine-2,3-dicarbonitriles and phthalonitriles, the main research direction is sulfanyl pyrazine dicarbonitrile phthalonitrile preparation cyclotetramerization; zinc azaphthalocyanine phthalocyanine preparation.Product Details of 56413-95-7.

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.

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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

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.Ding, Yun; Belyanskaya, Svetlana; DeLorey, Jennifer L.; Messer, Jeffrey A.; Joseph Franklin, G.; Centrella, Paolo A.; Morgan, Barry A.; Clark, Matthew A.; Skinner, Steven R.; Dodson, Jason W.; Li, Peng; Marino, Joseph P. Jr.; Israel, David I. researched the compound: cis-4-Aminocyclohexane carboxylic acid( cas:3685-23-2 ).Synthetic Route of C7H13NO2.They published the article 《Discovery of soluble epoxide hydrolase inhibitors through DNA-encoded library technology (ELT)》 about this compound( cas:3685-23-2 ) in Bioorganic & Medicinal Chemistry. Keywords: soluble epoxide hydrolase inhibitor GSK2256294 DNA encoded library; DNA-encoded library technology; Soluble epoxide hydrolase. We’ll tell you more about this compound (cas:3685-23-2).

Inhibition of soluble epoxide hydrolase (sEH) has recently emerged as a new approach to treat cardiovascular disease and respiratory disease. Inhibitors based on 1,3,5-triazine chemotype were discovered through affinity selection against two triazine-based DNA-encoded libraries. The structure and activity relationship study led to the expansion of the original 1,4-cycloalkyl series to related aniline, piperidine, quinoline, aryl-ether and benzylic series. The 1,3-cycloalkyl chemotype led to the discovery of a clin. candidate (GSK2256294, I) for COPD.

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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

Electric Literature of C6Cl2N4. 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: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Mixing Chromophores: Donor-Acceptor Dyes with Low-Lying LUMOs and Narrow Band Gaps by Connecting 4-Alkoxythiazoles and Azaacenes. Author is Gampe, Dominique Mario; Haensch, Veit Georg; Schramm, Stefan; Menzel, Roberto; Weiss, Dieter; Beckert, Rainer.

The synthesis and characterization of novel donor-acceptor (D-A) type functional dyes is presented. The materials studied are based on the 4-alkoxythiazole structure containing one of three arylamine donor units and one of three acceptor building blocks. The nine dyes were characterized with respect to their photo- and electrochem. properties based on UV/Vis absorption and fluorescence emission spectroscopy, and cyclic voltammetry. D. functional theory calculations were carried out to support these studies. The building blocks used brought their characteristics into the final target structures: the reversible oxidation and electron-donating properties of diarylamines, the high fluorescence quantum yields of 4-alkoxythiazoles, and the low-lying LUMOs of tetraazaanthracenes. Furthermore, by introducing tetraazaanthracenes as the acceptor moiety, narrow band gaps of 1.1 and 0.7 eV were estimated electrochem.

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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

Ivica, Josko; Gauthier, Jeannette; Power, Patricia; Lamy, Andre; Potter, Murray published an article about the compound: cis-4-Aminocyclohexane carboxylic acid( cas:3685-23-2,SMILESS:N[C@H]1CC[C@H](CC1)C(O)=O ).Product Details of 3685-23-2. 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:3685-23-2) through the article.

Tranexamic acid is a drug used during open cardiac surgery to prevent blood loss. The blood levels of 10-100μg/mL are reported to be in the therapeutic range and higher levels are linked to increased incidence of adverse effects. The aim of this study was to optimize and validate an LC-MS/MS method for serum tranexamic acid and measure its levels in patients from the DEPOSITION Pilot trial in order to prove the concept that topical administration will yield lower serum concentration The method development was carried out in several steps including sample preparation, and optimization of chromatog. and tandem mass spectrometry parameters. Method validation including day-to-day precision with 4 QC levels, limit of detection, sample stability, carryover, and concentration-signal linearity was carried out. Ninety patient samples were analyzed using the validated method. Fast and efficient LC-MS/MS method for anal. of tranexamic acid in serum was developed. The run time was 7 min with the total time of one hour including the sample preparation The method precision was acceptable (%CV = 10.5-12.6%) with no sample carryover observed The matrix effect on the anal. sensitivity was negligible and the lower limit of detection was 0.5μg/mL. The difference in the mean adjusted concentrations between topical (45 patients) and i.v. (45 patients) groups was statistically significant (0.1154μg/mL/kg vs. 0.2542μg/mL/kg, p < 0.0001). Rapid and simple LC-MS/MS method for anal. of tranexamic acid was optimized and validated. The laboratory has played a crucial role in proving the concept that topical administration yields significantly lower systemic levels of tranexamic acid, and thus decreases the risk of adverse outcomes in patients undergoing open cardiac surgery. This literature about this compound(3685-23-2)Product Details of 3685-23-2has given us a lot of inspiration, and I hope that the research on this compound(cis-4-Aminocyclohexane carboxylic acid) can be further advanced. Maybe we can get more compounds in a similar way.

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 Conjugated Macrocycles Related to the Porphyrins. 25.Proton NMR Spectroscopic Evidence for a Preferred [18]Annulene Substructure in Carbaporphyrins from the Magnitude of Selected 4JH,H CH:C-CH3 Coupling Constants, published in 2003-03-07, which mentions a compound: 616-43-3, mainly applied to benzocarbaporphyrin preparation NMR, Recommanded Product: 3-Methyl-1H-pyrrole.

Two new benzocarbaporphyrins with four or five alkyl substituents have been synthesized by the “”3 + 1″” MacDonald methodol. At lower temperatures, the proton NMR spectrum of the asym. substituted carbaporphyrin I gave two NH resonances, while carbaporphyrin II, which retains a plane of symmetry, gave only one resonance of this kind. As no addnl. peaks were seen for the remaining protons, these data strongly support the proposal that a single tautomer predominates in solution where the two NH protons flank the interior CH. Carbaporphyrin I, which has a CH:CMe unit on the pyrrolic ring opposite the indene moiety, gave a long-range coupling constant of 4JMe,H = 1.3-1.4 Hz. On the other hand, the CH:CMe units of II, which correspond to the pyrrole rings on each side of the carbocyclic moiety, gave 4JMe,H = 0.9-1.0 Hz. These values are in accord with those expected if the exterior carbon-carbon bonds of the pyrrole units next to the indene ring are part of a fully delocalized 18π electron system, while the C:C bond of the remaining pyrrole ring retains substantial olefinic character.

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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

Reference of cis-4-Aminocyclohexane carboxylic acid. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Triazine-Cored Lanthanide-Based Metal-Organic Frameworks Featuring Unique Water Chains and Strong Characteristic Emissions. Author is Han, Shu-Guo; Zhang, Yu-Xiao; Cheng, Jin-Tian; Wu, Xin-Tao; Zhu, Qi-Long.

A new triazine-cored tricarboxylic acid, N,N’,N”-1,3,5-triazine-2,4,6-triyltris(cis-4-aminocyclohexane-carboxylicacid)(H3L), was prepared by replacing the chlorine atoms of cyanuric chloride with cis-4-aminocyclohexane-carboxylic acid, which was used for the construction of a series of triazine-cored lanthanide-based metal-organic frameworks (MOFs). All these MOFs were structurally authenticated, revealing that they are isostructural and exist as two-dimensional (2D) coordination networks with the general formula [Ln(L)(H2O)2]·5.5 H2O (Ln = 1·Gd, 2·Tb, 3·Eu). A unique one-dimensional water chain, composed of primary tetrameric cyclic rings and dodecameric cyclic rings, was found entrapped in the lattice. Moreover, all these compounds display bright characteristic photoluminescence. Particularly, for 1, apart from the strong blue emission peak (Φf = 20.6 %) corresponding to the intraligand transition under near-UV excitation, the characteristic emissions of Gd3+ cation (Φf = 5.0 %) were unexpectedly observed upon excitation at 273 nm.

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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