Month: April 2022

Recommanded Product: 1452-77-3. 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: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Screening of CO2 utilization routes from process simulation: Design, optimization, environmental and techno-economic analysis. Author is Lee, Cheng-Ting; Tsai, Chang-Che; Wu, Pei-Jhen; Yu, Bor-Yih; Lin, Shiang-Tai.

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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Tetrahydroisoquinoline – Wikipedia,
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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, Biotechnology Letters called Switching the secondary and natural activity of Nitrilase from Acidovorax facilis 72 W for the efficient production of 2-picolinamide, Author is Wang, Liuzhu; Jiang, Shuiqin; Sun, Yangyang; Yang, Zeyu; Chen, Zhi; Wang, Hualei; Wei, Dongzhi, which mentions a compound: 1452-77-3, SMILESS is O=C(N)C1=NC=CC=C1, Molecular C6H6N2O, Related Products of 1452-77-3.

Catalytic promiscuity, or the ability to catalyze a secondary reaction, provides new opportunities for industrial biocatalysis by expanding the range of biocatalytic reactions. Some nitrilases converting nitriles to amides, referred to as the secondary activity, show great potential for amides production And our goal was exploiting the amide-forming potential of nitrilases. In this study, we characterized and altered the secondary activity of nitrilase from Acidovorax facilis 72 W (Nit72W) towards different substrates. We increased the secondary activity of Nit72W towards 2-cyanopyridine by 196-fold and created activity toward benzonitrile and p-nitrophenylacetonitrile by modifying the active pocket. Surprisingly, the best mutant, W188M, completely converted 250 mM 2-cyanopyridine to more than 98% 2-picolinamide in 12 h with a specific activity of 90 U/mg and showed potential for industrial applications. Nit72W was modified to increase its secondary activity for the amides production, especially 2-picolinamide.

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

Application of 1452-77-3. 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: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Efficient dehydration of primary amides to nitriles catalyzed by phosphorus-chalcogen chelated iron hydrides. Author is Li, Kai; Sun, Hongjian; Yang, Wenjing; Wang, Yajie; Xie, Shangqing; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter.

A series of phosphorus-chalcogen chelated hydrido iron (II) complexes, (o-(R’2P)-p-R-C6H4Y)FeH(PMe3)3I (R = H, Me; R’ = iPr, Ph; Y = O, S, Se) were synthesized. The catalytic performances of I for dehydration of amides to nitriles were explored by comparing three factors: (1) different chalcogen coordination atoms Y; (2) R’ group of the phosphine moiety; (3) R substituent group at the Ph ring. It is confirmed that I (R = H; R’ = Ph; Y = S) with S as coordination atom has the best catalytic activity and I (R = H; R’ = Ph; Y = Se) with Se as coordination atom has the poorest catalytic activity among complexes I (R = H; R’ = Ph; Y = O), I (R = H; R’ = Ph; Y = S) and I (R = H; R’ = Ph; Y = Se). Electron-rich complex I (R = Me; R’ = iPr; Y = O) is the best catalyst among the seven complexes and the dehydration reaction was completed by using 2 mol% catalyst loading at 60° with 24 h in the presence of (EtO)3SiH in THF. Catalyst I (R = Me; R’ = iPr; Y = O) has good tolerance to many functional groups. Among the seven iron complexes, new complexes I (R = H, Me; R’ = iPr; Y = O) were obtained via the O-H bond activation of the preligands o-iPr2P(C6H4)OH and o-iPr2P-p-Me-(C6H4)OH by Fe(PMe3)4. Both I (R = H, Me; R’ = iPr; Y = O) were characterized by spectroscopic methods and X-ray diffraction anal. The catalytic mechanism was exptl. studied and also proposed.

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

Reference 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 Novel green synthetic approach for liquid crystalline materials using multi-component reactions. Author is Shanker, G.; Srinatha, M. K.; Sandhya Kumari, D.; Ranjitha, B. S.; Alaasar, M..

Synthesis of disk-shape liquid crystalline materials using multi-component reactions is reported. Two new series, the compounds I (R = n-CnH2n+1; n = 6, 7, 8, 10, 11, 12) and II, were synthesized by coupling either 2,3-dihydroxynaphthalene or 2,6-dihydroxynaphthalene with the corresponding 3,4,5-tris(alkoxy)anilines under solvent-free conditions. The mol. structures of the new materials were confirmed using 1H NMR, 13C NMR and CHN elemental anal. The phase behavior was investigated using polarizing optical microscope and differential scanning calorimetry experiments All the materials exhibited room temperature discotic nematic phase during the cooling cycles as confirmed by X-ray diffraction studies. This synthetic approach provides multiple advantages such as high atom economy, short reaction time, mild reaction condition, simple workup, and do not require column chromatog. purification

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

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 Rhodium-catalyzed direct alkylation of benzylic amines using alkyl bromides, published in 2019-01-31, which mentions a compound: 693-67-4, mainly applied to benzylmethylamino pyridine alkyl bromide rhodium catalyzed alkylation; Catalysis; C–H activation; C–H functionalization; Directing group, Electric Literature of C11H23Br.

The development and substrate scope evaluation of a direct alkylation protocol of the C(sp3)-H bond of benzylic amines using alkyl bromides was reported. This pyridine-directed method was initiated by elimination of the alkyl bromide to a terminal olefin, which was then the true alkylating agent.

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

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 Liquids called Coumarin substituted symmetric diaminopyridine molecules: Synthesis, mesomorphic characterizations and DFT studies, Author is Mohammad, AbdulKarim-Talaq; Al-Mohammed, Mohammad Hameed; Srinivasa, H. T.; Ameen, Wissam Ahmed, which mentions a compound: 693-67-4, SMILESS is CCCCCCCCCCCBr, Molecular C11H23Br, Recommanded Product: 693-67-4.

Synthesis and characterization of 2,6-diaminopyridine bearing sym. substituted coumarins I [R = n-pentyl, n-octyl, n-nonanyl, etc.] from a lateral side of the mols. was reported. All the mols. I were characterized by standard spectroscopic methods such as IR spectroscopy and NMR spectroscopy techniques. Mesomorphic properties were evaluated by the differential scanning calorimetry and the polarized optical microscope. The measurements showed that the lower members did not favor liquid crystal formation, while higher members were exhibiting liquid crystalline, namely nematic mesophase. The DFT computations manifest the nature of liquid crystal geometrical aspects.

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

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: cis-Dichlorobis(pyridine)platinum(II)( cas:15227-42-6 ) is researched.COA of Formula: C10H10Cl2N2Pt.Colamarino, Paolo; Orioli, Pier L. published the article 《Crystal and molecular structures of cis- and trans-dichlorobis(pyridine)platinum(II)》 about this compound( cas:15227-42-6 ) in Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999). Keywords: crystal structure platinum complex; pyridine platinum complex structure. Let’s learn more about this compound (cas:15227-42-6).

The crystal and mol. structures of cis- and trans-dichlorobis(pyridine)platinum (I, II resp.) were determined from x-ray diffractometer data by heavy-atom techniques and refined by least squares to R 0.041 and 0.068 for 1000 and 1032 observed intensities for I and II, resp. Crystals of I are monoclinic, space group C2/c, with a 9.408, b 17.110, c 15.270 Å, β 98.53.degree., and Z = 8. Crystals of II are triclinic, space group P1̅, with a 7.695, b 7.091, c 5.542 Å, α 87.6, β 83.7, γ 79.3.degree., and Z = 1. Both complexes consist of discrete mols. with Pt in square planar coordination.

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Tetrahydroisoquinoline – Wikipedia,
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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole( cas:882562-40-5 ) is researched.Application of 882562-40-5.Ward, Richard A.; Anderton, Mark J.; Ashton, Susan; Bethel, Paul A.; Box, Matthew; Butterworth, Sam; Colclough, Nicola; Chorley, Christopher G.; Chuaqui, Claudio; Cross, Darren A. E.; Dakin, Les A.; Debreczeni, Judit E.; Eberlein, Cath; Finlay, M. Raymond V.; Hill, George B.; Grist, Matthew; Klinowska, Teresa C. M.; Lane, Clare; Martin, Scott; Orme, Jonathon P.; Smith, Peter; Wang, Fengjiang; Waring, Michael J. published the article 《Structure- and Reactivity-Based Development of Covalent Inhibitors of the Activating and Gatekeeper Mutant Forms of the Epidermal Growth Factor Receptor (EGFR)》 about this compound( cas:882562-40-5 ) in Journal of Medicinal Chemistry. Keywords: EGFR activating gatekeeper mutant covalent inhibitor SAR. Let’s learn more about this compound (cas:882562-40-5).

A novel series of small-mol. inhibitors has been developed to target the double mutant form of the epidermal growth factor receptor (EGFR) tyrosine kinase, which is resistant to treatment with gefitinib and erlotinib. Our reported compounds also show selectivity over wild-type EGFR. Guided by mol. modeling, this series was evolved to target a cysteine residue in the ATP binding site via covalent bond formation and demonstrates high levels of activity in cellular models of the double mutant form of EGFR. In addition, these compounds show significant activity against the activating mutations, which gefitinib and erlotinib target and inhibition of which gives rise to their observed clin. efficacy. A glutathione (GSH)-based assay was used to measure thiol reactivity toward the electrophilic functionality of the inhibitor series, enabling both the identification of a suitable reactivity window for their potency and the development of a reactivity quant. structure-property relationship (QSPR) to support design.

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

Application In Synthesis of cis-Dichlorobis(pyridine)platinum(II). The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: cis-Dichlorobis(pyridine)platinum(II), is researched, Molecular C10H10Cl2N2Pt, CAS is 15227-42-6, about Conformational properties of purine and pyrimidine complexes of cis-platinum. Implications for platinum(II)-DNA crosslinking modes. Author is Kistenmacher, Thomas J.; Orbell, John D.; Marzilli, Luigi G..

The stereochem. properties of a variety of cis complexes of Pt(II) containing purine or pyrimidine ligands are examined The critical intramol. conformational parameters [the interbase dihedral angle and the base/coordination plane dihedral angles] are systematically studied and trends sought. Where intramol. interactions are determinative of the adopted mol. conformation, the nature of the steric demands imposed by increasing numbers of exocyclic functional groups contiguous to the Pt binding site are clearly of major importance for the antitumor activity.

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Tetrahydroisoquinoline – Wikipedia,
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Hatakeyama, Suekichi; Sato, Choei published an article about the compound: cis-Dichlorobis(pyridine)platinum(II)( cas:15227-42-6,SMILESS:[Cl-][Pt+2]([N]1=CC=CC=C1)([Cl-])[N]2=CC=CC=C2 ).Application In Synthesis of cis-Dichlorobis(pyridine)platinum(II). 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:15227-42-6) through the article.

Assignments are given for the ir spectra of metal-pyridine complexes of the type NiX2.npy, CuX2.2py (X = Cl, Br; n = 1,2,4) and cis-, trans-PtCl2.2py in the 200-1610-cm-1 region. For a series of Ni complexes studied, the ν(Ni-N) vibrations occur at ∼240 cm-1. Cu complexes, on the other hand, show the ν(Cu-N) band near 270 cm-1. Among pyridine vibrations the ν4, ν9, ν10 and ν27, ring deformation vibrations, and the ν16, H in-plane deformation vibration, shift significantly to a higher frequency by complex formation. Among the rest, the ν10, in-plane ring deformation vibration, is the most sensitive upon complex formation.

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