Month: April 2022

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 Asymmetric synthesis of (S)-Metoprolol, published in 2010-11-10, which mentions a compound: 60827-45-4, Name is (2S)-(+)-3-Chloropropane-1,2-diol, Molecular C3H7ClO2, Category: iodides-buliding-blocks.

Enantioenriched (S)-3-chloro-1,2-propanediol and (R)-epichlorohydrin were obtained by a kinetic hydrolysis resolution of racemic epichlorohydrin using (S,S)-salen-cobalt acetate and the synthesis of the target compound [i.e., 99% optically pure (S)-Metoprolol] was achieved by a reaction of 4-(2-methoxyethyl)phenol with (2S)-3-chloro-1,2-propanediol and a subsequent amination with 2-propanamine. When (R)-epichlorohydrin was used as a chiral precursor, (S)-Metoprolol was also formed but less optically pure (>92%). The overall product yield 53.9% and the product thus [(-)-Metoprolol, (2S)-1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol] was confirmed by IR, 1H-NMR, 13C-NMR, MS. This method may be suitable for industrial process adaptation.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Bomparola, Roberta; Davies, Robert P.; Hornaeur, Stefan; White, Andrew J. P. published an article about the compound: Mesitylcopper(I)( cas:75732-01-3,SMILESS:[Cu]C1=C(C)C=C(C)C=C1C ).Related Products of 75732-01-3. 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:75732-01-3) through the article.

Li organoamidocuprates LiCuR(NR’2) are an important class of organocopper reagents and found widespread application in conjugate addition and other bond-forming reactions. The dependence of the structures and equilibrium of these species on the steric and electronic properties of the amido group is reported in both the solid state and in solution Three different cuprate complexes were crystallog. characterized: the organoamidocuprate [Cu2Li2Mes2TMP2] (2) (TMP = 2,2,6,6-tetramethylpiperidide) which is shown to adopt a head-to-tail conformation; [Cu2Li2(N(CH2Ph)CH2CH2NMe2)4] (3) which is a homoamidocuprate and contains addnl. coordination of the Li centers from intra-mol. tertiary amine groups; and the diastereomeric organoamidocuprate [Cu2Li2Mes2(N(R-CH(Ph)Me)(CH2CF3))2] (4) which adopts a head-to-head conformation. Complex 4 is unique in being the 1st crystallog. characterized example of a head-to-head isomer of a heterocuprate, and its structure also has implications for the use of scalemic amidocuprates in asym. induced conjugate addition The solution equilibrium of all new complexes also were studied using 7Li NMR spectroscopy, and in each case the species observed in the crystal structure was shown to also be the predominant isomer in solution

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Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

COA of Formula: C6H8N2. 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: 2-Methylglutaronitrile, is researched, Molecular C6H8N2, CAS is 4553-62-2, about Optical recognition of alkyl nitrile by a homochiral iron(II) spin crossover host. Author is Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun.

A homochiral complex 1·MeCN (fac -Λ-[FeL3](ClO4)2·MeCN), where L = was synthesized by the multicomponent self-assembly of (R)-phenylethylamine, 1-methyl-2-imidazolecarboxaldehyde and iron(II) ions in acetonitrile solution X-ray crystallog. anal. revealed that complex 1·MeCN crystallized in the chiral space group P21. The octahedral coordination mononuclear [FeL3]2+ cations are stacked into a left-handed double helix supramol. structure along the a axis with uncoordinated acetonitrile mols. filling the helical channel. When 1·MeCN redissolved in racemic lactonitrile (LN) or methylglutaronitrile (MGN), the [FeL3]2+ cations can recognize one enantiomeric alkyl nitrile by forming 1·1/3(R)-LN or 1·1/3(S)-MGN crystals. 1·1/3(R)-LN and 1·1/3(S)-MGN crystallized in the P212121 space group, and the [FeL3]2+ cations are stacked in a triple helix mode with the enantiomeric alkyl nitrile captured in the helical channel. Magnetic measurement indicated that 1·MeCN displayed spin-crossover at 355 K, while the transition temperature became 220 K after desolvation. However, 1·1/3(R)-LN and 1·1/3(S)-MGN exhibited incomplete and reversible spin-crossover behaviors at ∼363 K. The mononuclear iron(II) complex could be used as a host for racemic alkyl nitrile separation, and the spin-crossover property was influenced by the process of chiral recognition.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 28903-71-1, is researched, SMILESS is COC1=CC=C(C=C1)C(C2=[N]3[Co+2]4([N-]56)[N-]7C(C(C8=CC=C(C=C8)OC)=C3C=C2)=CC=C7C(C9=CC=C(C=C9)OC)=C%10C=CC%11=[N]4%10)=C5C=CC6=C%11C%12=CC=C(C=C%12)OC, Molecular C48H38CoN4O4Journal, Waste and Biomass Valorization called Metalloporphyrin as a Biomimetic Catalyst for the Catalytic Oxidative Degradation of Lignin to Produce Aromatic Monomers, Author is Xie, Jinfeng; Ma, Guanfeng; Ouyang, Xinping; Zhao, Lisha; Qiu, Xueqing, the main research direction is metalloporphyrin biomimetic catalyst lignin catalytic oxidative degradation aromatic monomer.Electric Literature of C48H38CoN4O4.

Lignin, an abundant biomass waste, was degraded under microwave irradiation with H2O2 as the oxidant and metalloporphyrin as the catalyst. The effect of substituent group (4-methylphenyl, 4-methoxyphenyl, 4-bromophenyl and 4-carboxyphenyl) at the meso-benzene ring of metalloporphyrin, central metal ion (Co, Mn, Ni and Fe) and axial ligand (chlorine, p-hydroxypyridine, p-pyridinecarboxaldehyde) on the degradation of lignin was investigated. The electron-withdrawing group not only reduces the electron cloud d. on the porphyrin ring, but also promotes the formation of higher active intermediate [(Porp)MeIV=O]+·. Therefore, the presence of stronger electron-withdrawing substituents makes the metalloporphyrins more efficient in lignin degradation Compared to Co porphyrin, there are less amount of [(Porp)MeIV=O]+· formed when Mn, Fe or Ni porphyrin was used as the catalyst for degrading lignin. Consequently, Co porphyrin contributed to a higher YAM (the yield of aromatic monomers). The strong nucleophilicity and the low steric hindrance of axial ligand was advantageous for the stability of metalloporphyrins, which is favorable for improving the catalytic activity to the degradation of lignin. It is found that the YAM increases 20.1% from 5.6% by using CoTBrPPCl as the reaction catalyst under the optimized conditions.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Recommanded Product: 2058236-52-3. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: (S)-4-Benzyl-2-(isoquinolin-1-yl)-4,5-dihydrooxazole, is researched, Molecular C19H16N2O, CAS is 2058236-52-3, about Nickel-Catalyzed C-H Heteroarylation of Chiral Oxazolines. Author is Lu, Peng; Ji, Chong-Lei; Lu, Zhan.

A nickel-catalyzed C-H heteroarylation at the 2-position of oxazolines e.g., (3aR,8aS)-3a,8a-Dihydro-8H-indeno[1,2-d]oxazole with heteroaryl halides such as 2-bromothiophene, 1-bromoisoquinoline, (E)-(2-bromovinyl)benzene, 2,6-dibromopyridine, etc. was developed. Various oxazoline-containing multidentate chiral ligands e.g., (3aR,8aS)-2-(thiophen-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole have been efficiently synthesized.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

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 Thermal Analysis and Calorimetry called Ab initio and DFT calculations of three-body interactions in chiral mixtures, Author is Fujisawa, M.; Kimura, T., which mentions a compound: 60827-45-4, SMILESS is OC[C@H](O)CCl, Molecular C3H7ClO2, Quality Control of (2S)-(+)-3-Chloropropane-1,2-diol.

In order to elucidate the enthalpic stabilization of a 2-methyl-1,4-butanediol system (2M14BD) and a 3-chloro-1,2-propanediol (3C12PDO) system by mixing of each (R)- and (S)-enantiomers, three-body interaction energies are obtained by PW91/6-311G** and MP2/6-311G** level calculations The differences between homochiral interactions and heterochiral interactions in a 3C12PDO system are found. On the other hand, in 2M14BD systems, very slight differences can be observed between the three-body interaction energies of the three ternary systems. Further, the relationship between excess enthalpies and chiral interactions is discussed.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Methylglutaronitrile(SMILESS: N#CC(C)CCC#N,cas:4553-62-2) is researched.Safety of 4-(Piperazin-1-yl)phenol. The article 《Microbial degradation of nitrile compounds. Part IV. Fungal degradation of triacrylonitrile》 in relation to this compound, is published in Agricultural and Biological Chemistry. Let’s take a look at the latest research on this compound (cas:4553-62-2).

Two fungal strains (TG-1 and TG-2) which utilized triacrylonitrile (I) as N source were isolated from soil and identified as Fusarium merismoides merismoides and F. solani solani, resp. F. merismoides TG-1 could utilize I, adiponitrile, glutaronitrile, diacrylonitrile, and 2,4-dicyano-1-butene as N sources. Conditions for cultivation of the strain were studied. Degradation products of I were a mixture of 5,7-dicyanoheptanoic acid (62%) and 4,7-dicyanoheptanoic acid (II) (38%). A mixture of 5,7-dicyanoheptanoic acid (11%) and II (89%) was also obtained from the culture broth of F. solani TG-2.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 4553-62-2, is researched, SMILESS is N#CC(C)CCC#N, Molecular C6H8N2Journal, Article, Research Support, Non-U.S. Gov’t, ChemSusChem called Anodic Dissolution of Al Current Collectors in Unconventional Solvents for High Voltage Electrochemical Double-Layer Capacitors, Author is Krummacher, Jakob; Hess, Lars-Henning; Balducci, Andrea., the main research direction is anodic dissolution aluminum current collector solvent electrochem capacitor; capacitors; dissolution; electrolytes; high voltage; ion-solvent interactions.Electric Literature of C6H8N2.

This study studied the anodic dissolution of Al current collectors in unconventional electrolytes for high voltage electrochem. double-layer capacitors (EDLCs) containing adiponitrile (ADN), 3-cyanopropionic acid Me ester (CPAME), 2-methyl-glutaronitrile (2-MGN) as solvent, and Et4N+ tetrafluoroborate (Et4NBF4) and Et4N+ bis(trifluoromethanesulfonyl)imide (Et4NTFSI) as conductive salts. To have a comparison with the state-of-the-art electrolytes, the same salts were also used in combination with MeCN (ACN). The chem.-phys. properties of the electrolytes were studied. Also, their impact on the anodic dissolution of Al was analyzed in detail as well as the influence of this process on the performance of high voltage EDLCs. The results of this study indicated that in the case of Et4NBF4-based electrolytes, the use of an alternative solvent is very beneficial for the realization of stable devices. When Et4NTFSI is used, the reduced solubility of the complex Al(TFSI)3 appears to be the key for the realization of advanced electrolytes.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: Mesitylcopper(I), is researched, Molecular C9H11Cu, CAS is 75732-01-3, about Synthesis and Structures of Group 11 Metal Triazenide Complexes: Ligand Supported Metallophilic Interactions.HPLC of Formula: 75732-01-3.

A homologous and homoleptic series of stable Group 11 metal triazenide complexes with the general formula [M(L’)]n (M = Cu or Au, n = 2; M = Ag, n = 3) featuring the bulky triazenide ligand N,N’-bis(2,6-di-isopropylphenyl)triazene, L’H, have been prepared by the reaction of Li[L’] with the metal chlorides, CuCl, AgCl, and [(THT)AuCl], resp., in a 1:1 stoichiometric ratio. The compounds [Cu2(L’)2] and [Au2(L’)2] crystallized as dimers with M···M separations of 2.4458(4) Å and 2.6762(4) Å, resp. In comparison, the reaction of AgCl with Li[L’] results in the formation of the tri-silver complex [Ag3(L’)3] with Ag···Ag separations of 3.01184(17) Å, 2.95329(17) Å, and 2.92745(16) Å. Attempts to react the parent triazene system L’H with [Cu(mesityl)] resulted in the formation of the novel tri-copper system [Cu3(L’)2(mesityl)]. In all cases the mol. structures of the resultant complexes have been unambiguously determined by single crystal X-ray diffraction experiments

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Application of 28903-71-1. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5,10,15,20-Tetrakis (4-methoxyphenyl)-21H,23H-porphine cobalt (II), is researched, Molecular C48H38CoN4O4, CAS is 28903-71-1, about Can a Nitrosyl of a Mn(II)-Porphyrin Complex Release Nitroxyl/HNO?. Author is Mazumdar, Rakesh; Saha, Shankhadeep; Samanta, Bapan; Mondal, Biplab.

In general, the nitrosyl complexes of Mn(II)-porphyrinate having the {Mn(NO)}6 configuration are not considered as HNO or nitroxyl (NO-) donors because of [MnI-NO+] nature. A nitrosyl complex of Mn(II)-porphyrin, [Mn(TMPP2-)(NO)], [1, TMPPH2 = 5,10,15,20-tetrakis-4-methoxyphenylporphyrin], is shown to release HNO in the presence of HBF4. It is evidenced from the characteristic reaction of HNO with PPh3 and isolation of the [(TMPP2-)MnIII(H2O)2](BF4) (2). This is attributed to the fact that H+ from HBF4 polarizes the NO group whereas BF4- interacts with metal ion to stabilize the Mn(III) form. These two effects cooperatively result in the release of HNO from 1. Complex 1 behaves as a nitroxyl (NO-) donor in the presence of [Fe(dtc)3] (dtc = diethyldithiocarbamate anion) and [Fe(TPP)(Cl)] (TPP = 5,10,15,20-tetraphenylporphyrinate) to result in [Fe(dtc)2(NO)] and [Fe(TPP)(NO)], resp.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com