Month: April 2022

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Picolinamide( cas:1452-77-3 ) is researched.Quality Control of Picolinamide.Lee, Cheng-Ting; Tsai, Chang-Che; Wu, Pei-Jhen; Yu, Bor-Yih; Lin, Shiang-Tai published the article 《Screening of CO2 utilization routes from process simulation: Design, optimization, environmental and techno-economic analysis》 about this compound( cas:1452-77-3 ) in Journal of CO2 Utilization. Keywords: carbon dioxide utilization simulation optimization techno economic analysis. Let’s learn more about this compound (cas:1452-77-3).

This work aims at evaluating potential direct CO2 conversion processes through systematic screening and process simulation. Fifteen direct routes converting CO2 to carbonates or carbamates, with in situ chem. dehydration using 2-cyanopyridine (2-CP) are focused. The work covers an extensive examination (and supplement) on the phys. properties, selection of promising routes, process simulation, optimization, environmental, and techno-economic evaluation. Firstly, three promising routes were selected, producing di-Me carbonate (DMC), di-Pr carbonate (DPC), and Iso-Pr N-phenylcarbamate (IPPhCM), based on three criteria: azeotropic search, product selectivity and reacting conditions. Next, the corresponding processes were simulated, optimized, heat-integrated, and systematically compared with the previously-proposed di-Et carbonate (DEC) process through environmental and economic anal. From environmental anal., the CO2 emission rate (CO2-e, in kg/kg-product) was 0.067, 0.088, -0.040 and -0.154 for producing DMC, DPC, IPPhCM and DEC, resp. By reducing the excess ratio used for reaction (i.e. 2-CP/alc. or amine/alc.), the CO2-e improved to -0.122, -0.086, and -0.117 for producing DMC, DPC and IPPhCM, resp. Finally, the min. required selling prices (MRSP) at 15% internal rate of return (IRR) were determined, with the unit price of 2-CP, 2-picolinamide (2-PA), and the reactor residence time regarded as uncertainties. The MRSPs for DMC, DPC, IPPhCM and DEC are found in the range of 1.50-4.96, 2.29-4.24, 2.07-4.06 and 1.12-2.81 (all in USD/kg), resp. Future studies exploring the com. availability and the regeneration of 2-CP, and the feasibility of reducing the excess ratio and the reaction residence time are considered helpful.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-Bromoundecane(SMILESS: CCCCCCCCCCCBr,cas:693-67-4) is researched.Application of 693-67-4. The article 《Room-Temperature, Deep-Red/NIR-Emissive, C3-Symmetric (n,π-conjugated) Columnar Liquid Crystals: C3h-Tris(keto-hydrazone)s》 in relation to this compound, is published in ACS Omega. Let’s take a look at the latest research on this compound (cas:693-67-4).

The first examples of deep-red/near-IR (NIR) photoluminescent, (n,π-conjugated) discotics, namely, C3h-tris(keto-hydrazone)s, which are the tautomers of tris(azo-enol)s, have been synthesized via a facile one-step triple azo-coupling and characterized. The n,π-resonance-assisted intramol. H-bonding, rendering planarity and shape persistence to the central core, facilitates their self-assembly into either a hexagonal columnar (Colh) phase (p6mm lattice) or a columnar rectangular (Colr) phase (p2mm lattice), over an extended thermal range including room temperature, fluorescing in the deep-red/NIR-I region. The low band gap with deep-red/NIR emission makes them ideal candidates for NIR-organic light-emitting diodes (OLEDs) and bioimaging.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Application of 693-67-4. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-Bromoundecane, is researched, Molecular C11H23Br, CAS is 693-67-4, about A new stationary phase for capillary gas chromatography: Calix[4]resorcinarene functionalized with imidazolium cationic units. Author is Shuai, Xiaomin; Cai, Zhiqiang; Zhao, Xinyu; Chen, Yujie; Zhang, Qian; Ma, Ziwei; Hu, Junjie; Sun, Tao; Hu, Shaoqiang.

A novel calix[4]resorcinarene-based ionic liquid (C4RA-2IL) was synthesized, structurally characterized, and statically coated on capillary column as stationary phase for capillary gas chromatog. (GC). The column efficiency of the C4RA-2IL column is 3345 plates m-1, which are determined by n-dodecane at 120 °C. Based on its McReynolds constants, the C4RA-2IL column showed moderate polarity. Particularly, the C4RA-2IL column show high separation performance for a wide range of analytes and some difficult separation of meta/para-isomers. Moreover, it exhibited excellent selectivity for critical aromatic isomers of chloroaniline, bromaniline, iodoaniline, toluidine and xylidine isomers and shows advantageous separation capability over the com. polysiloxane stationary phase. This work presents a promising future of calixarene-based ionic liquid as a new type of stationary phase in GC separations

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Romero-Hasler, P.; Arismendi, D.; Richter, P.; Soto-Bustamante, E. A. published the article 《Homologous series of LC acrylic monomers based on phenyl benzoate core group: synthesis and characterization》. Keywords: liquid crystalline phenyl benzoate acrylate monomer synthesis esterification.They researched the compound: 1-Bromoundecane( cas:693-67-4 ).Related Products of 693-67-4. 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:693-67-4) here.

The synthesis and phase characterization of a homologous series of monomers of acrylic Ph benzoates has been carried out. The characterization comprises polarized optical microscopy, differential scanning calorimetry and powder x-ray diffractometry. All monomers are mesogenic, exhibiting either nematic and/or smectic phase. Shorter monomers are nematogenic while longer monomers show a more smectogenic character. Most of the monomers show monotropic phases.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Reference of cis-Dichlorobis(pyridine)platinum(II). The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: cis-Dichlorobis(pyridine)platinum(II), is researched, Molecular C10H10Cl2N2Pt, CAS is 15227-42-6, about Palladium(II) and platinum(II) saccharinate complexes containing pyridine and 3-acetylpyridine: Synthesis, crystal structures, fluorescence and thermal properties. Author is Guney, Emel; Yilmaz, Veysel T.; Buyukgungor, Orhan.

New Pd(II) and Pt(II) complexes of saccharinate (sac), trans-[Pd(py)2(sac)2] (1), cis-[Pt(py)2(sac)2] (2), trans-[Pd(3-acpy)2(sac)2] (3) and cis-[Pt(3-acpy)2(sac)2] (4) (py = pyridine and 3-acpy = 3-acetylpyridine) were synthesized. Elemental anal., UV-visible, IR, NMR and TG/DTA characterizations were carried out. The structures of 1-4 were determined by x-ray diffraction. The Pd(II) and Pt(II) ions are coordinated by two N-bonded sac ligands, and two N atoms of py or 3-acpy, forming a distorted square-planar geometry. The Pd(II) complexes (1 and 3) are trans isomers, while the Pt(II) complexes (2 and 4) are cis isomers. The mononuclear species in the solid state are connected by weak intermol. C-H···O H bonds, C-H···π and π···π stacking interactions. The Pt(II) complexes show significant fluorescence at room temperature

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Safety of 1-Bromoundecane. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1-Bromoundecane, is researched, Molecular C11H23Br, CAS is 693-67-4, about Dictating Nanoparticle Assembly via Systems-Level Control of Molecular Multivalency. Author is Santos, Peter J.; Cao, Zhen; Zhang, Jianyuan; Alexander-Katz, Alfredo; Macfarlane, Robert J..

Nanoparticle assembly can be controlled by multivalent binding interactions between surface ligands, indicating that more precise control over these interactions is important to design complex nanoscale architectures. It has been well-established in natural materials that the arrangement of different mol. species in three dimensions can affect the ability of individual supramol. units to coordinate their binding, thereby regulating the strength and specificity of their collective mol. interactions. However, in artificial systems, limited examples exist that quant. demonstrate how changes in nanoscale geometry can be used to rationally modulate the thermodn. of individual mol. binding interactions. As a result, the use of nanoscale design features to regulate mol. bonding remains an underutilized design handle to control nanomaterials synthesis. Here we demonstrate a polymer-coated nanoparticle material where supramol. bonding and nanoscale structure are used in conjunction to dictate the thermodn. of their multivalent interactions, resulting in emergent bundling of supramol. binding groups that would not be expected on the basis of the mol. structures alone. Addnl., we show that these emergent phenomena can controllably alter the superlattice symmetry by using the mesoscale particle arrangement to alter the thermodn. of the supramol. bonding behavior. The ability to rationally program mol. multivalency via a systems-level approach therefore provides a major step forward in the assembly of complex artificial structures, with implications for future designs of both nanoparticle- and supramol.-based materials.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

SDS of cas: 693-67-4. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-Bromoundecane, is researched, Molecular C11H23Br, CAS is 693-67-4, about Mn(II) and Zn(II) complexes of a benzimidazole ligand having undecyl chains: Crystal structures, photophysical and thermal properties. Author is Kirpik, Hilal; Kose, Muhammet.

A new tridentate benzimidazole ligand (L-C11) containing undecyl chains and its Mn(II) and Zn(II) complexes were synthesized and characterized by spectroscopic and anal. methods. Mol. structures of complexes [Mn(L-C11)Cl2] and [Zn(L-C11)Cl2] were evaluated by x-ray diffraction studies. The x-ray data showed metal ions in both complexes are five-coordinate with distorted square pyramidal geometry around the metal centers. The undecyl chains in the structure of the complexes are aligned in an interdigitated manner (head to tail) forming a non-polar domain. The aggregation properties of the ligand and its complexes were studied by UV-visible absorption and emission spectroscopies in DMF-water mixtures The emission spectral data revealed that the compounds showed aggregation induced quenching (AIQ) in DMF-water solutions Moreover, thermal properties of the compounds were studied by TG, DTG and DSC anal.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Cold Crystallization and Polymorphism Triggered by the Mobility of the Phenyl Group in Alkyl Azo Dye Molecules》. Authors are Honda, Akinori; Kakihara, Shunta; Kawai, Masato; Takahashi, Tomomi; Miyamura, Kazuo.The article about the compound:1-Bromoundecanecas:693-67-4,SMILESS:CCCCCCCCCCCBr).Computed Properties of C11H23Br. Through the article, more information about this compound (cas:693-67-4) is conveyed.

The thermal behavior, including the cold crystallization, of alkyl-derivatized Sudan III (1-[4-(phenylazo)phenylazo]-2-naphthol), SD3-OCn, was investigated. Its structural flexibility due to the two azo groups caused the formation of plural crystal structures, which further resulted in complex cold crystallization A metastable nonflat structure and a thermodynamically stable flat structure resulted in the two sets of crystallization and melting behavior during the heating process. Further, the change in the alkyl chain length caused variations in the crystallization rate and crystallinity, thus systematically changing the cold crystallization behavior. It was proven that the high mobility of the Ph group triggered supercooling and cold crystallization and that the alkyl chain correspondingly controlled the thermal behavior.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: cis-Dichlorobis(pyridine)platinum(II)(SMILESS: [Cl-][Pt+2]([N]1=CC=CC=C1)([Cl-])[N]2=CC=CC=C2,cas:15227-42-6) is researched.Name: Picolinamide. The article 《Spectral studies of some pyridine and bipyridine complexes of platinum(II)》 in relation to this compound, is published in Spectroscopy Letters. Let’s take a look at the latest research on this compound (cas:15227-42-6).

Electronic absorption spectra and magnetic CD (MCD) spectra were studied for the square planar complexes cis- and trans-Pt(py)2Cl2 and Pt(2,2′-bipyridine)Cl2(I). Detailed studies were carried out for I due to its fair solubility in many solvents and the solvent effect on its electronic spectra was investigated. The band assignments of the electronic spectra are discussed and are supported by the MCD spectra. NMR and magnetic studies were also carried out on the complexes to further elucidate their configuration. All the complexes studied are diamagnetic in conformity with their square planar arrangement.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Name: Picolinamide. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Synthesis of N-(6-[18F]Fluoropyridin-3-yl)glycine as a potential renal PET agent. Author is Wang, Hongliang; Dong, Weixuan; Zhao, Qinan; Lu, Keyi; Guo, Xiaoshan; Liu, Haiyan; Wu, Zhifang; Li, Sijin.

Given the requirements of high sensitivity and spatial resolution, the development of new positron emission tomog. (PET) agents is required for PET renog. The objective of this study was to investigate a new fluorine-18 labeled hippurate analog of picolinamide, N-(6-[18F]Fluoropyridin-3-yl)glycine, as a new renal PET agent for evaluating renal function. N-(6-[18F]Fluoropyridin-3-yl)glycine was prepared via a two-step reaction, including the nucleophilic substitution reaction of Br with 18F using Me 2-(6-bromonicotinamido)acetate as a precursor followed the hydrolysis with sodium hydroxide and purification by preparative-HPLC. The in vitro and in vivo stability were determined using HPLC, and the plasma protein binding (PPB) and erythrocyte uptake of N-(6-[18F]Fluoropyridin-3-yl)glycine were determined using blood collected from healthy rats at 5 min post-injection. Biodistribution and dynamic micro-PET/CT imaging studies were conducted in healthy rats. N-(6-[18F]Fluoropyridin-3-yl)glycine demonstrated good stability both in vitro and in vivo. The results of the biodistribution and dynamic micro-PET/CT imaging studies in normal rats indicated that N-(6-[18F]Fluoropyridin-3-yl)glycine was rapidly and exclusively excreted via the renal-urinary pathway. N-(6-[18F]Fluoropyridin-3-yl)glycine is has been shown to be a promising renal PET agent and warrants further evaluation of renal function.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem