Tag: M.W:100-200

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine, is researched, Molecular C7H5ClN4, CAS is 114834-02-5, about Selective mono-amination of dichlorodiazines, the main research direction is amino chloro pyridazine pyrimidine chemoselective preparation; chemoselective monosubstitution dichloropyridazine dichloropyrimidine amine triethylamine ethanol; kinetics relative reactivity chemoselective monosubstitution dichloropyridazine dichloropyrimidine morpholine.Synthetic Route of C7H5ClN4.

3,6-Dichloropyridazine, 4,6-dichloropyrimidine, 2,4-dichloropyrimidine, and 3,5-dichloropyridazine underwent chemoselective monosubstitution reactions with amines using triethylamine as a base in ethanol at either ambient temperature or reflux to give monoamino monochloro pyridazines and pyrimidines. The methodol. is general and efficient despite noticeable differences in reactivity between diazines; while dichloropyridazine and dichloropyrazine require several hours of heating at reflux for the reaction to proceed, dichloropyrimidines reach completion within minutes at room temperature

Compound(114834-02-5)Synthetic Route of C7H5ClN4 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(4-Chloro-6-(1H-imidazol-1-yl)pyrimidine), if you are interested, you can check out my other related articles.

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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: (4-(Pyridin-4-yl)phenyl)methanol( cas:217192-22-8 ) is researched.Recommanded Product: 217192-22-8.Chenge, Jude T.; Van Duyet, Le; Swami, Shalini; McLean, Kirsty J.; Kavanagh, Madeline E.; Coyne, Anthony G.; Rigby, Stephen E. J.; Cheesman, Myles R.; Girvan, Hazel M.; Levy, Colin W.; Rupp, Bernd; von Kries, Jens P.; Abell, Chris; Leys, David; Munro, Andrew W. published the article 《Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1》 about this compound( cas:217192-22-8 ) in Journal of Biological Chemistry. Keywords: high throughput screening ligand recognition cytochrome CYP126A1 crystal structure; CYP126A1; Mycobacterium tuberculosis; cytochrome P450; electron paramagnetic resonance (EPR); enzyme structure; high throughput screening (HTS); mass spectrometry (MS); redox potentiometry. Let’s learn more about this compound (cas:217192-22-8).

The Mycobacterium tuberculosis H37Rv genome encodes 20 cytochromes P 450, including P450s crucial to infection and bacterial viability. Many M. tuberculosis P450s remain uncharacterized, suggesting that their further anal. may provide new insights into M. tuberculosis metabolic processes and new targets for drug discovery. CYP126A1 is representative of a P 450 family widely distributed in mycobacteria and other bacteria. Here we explore the biochem. and structural properties of CYP126A1, including its interactions with new chem. ligands. A survey of azole antifungal drugs showed that CYP126A1 is inhibited strongly by azoles containing an imidazole ring but not by those tested containing a triazole ring. To further explore the mol. preferences of CYP126A1 and search for probes of enzyme function, we conducted a high throughput screen. Compounds containing three or more ring structures dominated the screening hits, including nitroarom. compounds that induce substrate-like shifts in the heme spectrum of CYP126A1. Spectroelectrochem. measurements revealed a 155-mV increase in heme iron potential when bound to one of the newly identified nitroarom. drugs. CYP126A1 dimers were observed in crystal structures of ligand-free CYP126A1 and for CYP126A1 bound to compounds discovered in the screen. However, ketoconazole binds in an orientation that disrupts the BC-loop regions at the P 450 dimer interface and results in a CYP126A1 monomeric crystal form. Structural data also reveal that nitroarom. ligands “”moonlight”” as substrates by displacing the CYP126A1 distal water but inhibit enzyme activity. The relatively polar active site of CYP126A1 distinguishes it from its most closely related sterol-binding P450s in M. tuberculosis, suggesting that further investigations will reveal its diverse substrate selectivity.

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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: 57825-30-6, is researched, SMILESS is CCC1=CC=C(CBr)C=C1, Molecular C9H11BrJournal, Article, Research Support, Non-U.S. Gov’t, Bioorganic & Medicinal Chemistry Letters called C5-Modified nucleosides exhibiting anticancer activity, Author is Lee, Yoon-Suk; Park, Sun Min; Kim, Hwan Mook; Park, Song-Kyu; Lee, Kiho; Lee, Chang Woo; Kim, Byeang Hyean, the main research direction is nucleoside synthesis iododeoxyuridine human antitumor click cycloaddition isoxazole triazole.Category: quinoxaline.

We describe (i) a simple method for the synthesis of C5-modified nucleosides, e.g. I, from 5-iodo-2′-deoxyuridine and (ii) their activity against six types of human cancer cell lines (HCT15, MM231, NCI-H23, NUGC-3, PC-3, ACHN). We generated nitrile oxides in situ from oximes using a com. bleaching agent; their cycloaddition with 5-ethynyl-2′-deoxyuridine yielded isoxazole derivatives possessing activity against the cancer cell lines. We synthesized several azides from benzylic bromides and their click reactions with 5-ethynyl-2′-deoxyuridine provided triazole derivatives

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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 Mixed ligand complexes of copper glycinate with oxine, its derivatives and oxine-N-oxide, published in 2005, which mentions a compound: 1127-45-3, mainly applied to copper glycinate hydroxyquinoline oxide complex preparation, Product Details of 1127-45-3.

Mixed ligand complexes CuL2.L’ (HL = glycine, L’ = oxine or 8-hydroxyquinoline, 5,7-dichlorooxine, 5,7-dibromooxine, 5,7-diiodooxine, 5,7-dinitrooxine and oxine-N-oxide) were prepared by the reaction of Cu(II) glycinate with oxine, its derivatives and oxine-N-oxide. IR spectral datas indicate coordination of glycine is through the N and O atoms in neutral complex (Cu glycinate). It also indicates H-bonding in them, coordination of L’ through the OH and heterocyclic N atoms. The UV-spectroscopy and magnetic susceptibility values suggest the octahedral structure for these complexes. Very low values of molar conductivity show they are nonelectrolytes.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Nickel(ii)fluoridetetrahydrate, is researched, Molecular F2H8NiO4, CAS is 13940-83-5, about Thermal decomposition of nickel and zinc fluoride tetrahydrates, the main research direction is decomposition nickel fluoride hydrate; zinc fluoride hydrate decomposition.SDS of cas: 13940-83-5.

NiF2.4H2O decomposes in 3 steps when heated. In dry air or Ar atm. NiF2.H2O is formed at ∼125°, but H2O and HF are lost and NiOHF.3NiF2 is formed at ∼225°. NiOHF.3NiF2 loses another mol. of HF at ∼430° and the final product is a mixture of NiF2 and NiO in 3:1 mole ratio. In the presence of H2O, the final product is NiO, the other steps being the same. ZnF2.4H2O loses H2O at >75° to give anhydrous ZnF2.

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Hatakeyama, Takuji; Hashimoto, Sigma; Ishizuka, Kentaro; Nakamura, Masaharu published the article 《Highly Selective Biaryl Cross-Coupling Reactions between Aryl Halides and Aryl Grignard Reagents: A New Catalyst Combination of N-Heterocyclic Carbenes and Iron, Cobalt, and Nickel Fluorides》. Keywords: unsym biaryl preparation; cross coupling reaction aryl Grignard reagent aryl heteroaryl halide; nitrogen heterocyclic carbene iron fluoride catalyst cross coupling reaction.They researched the compound: Nickel(ii)fluoridetetrahydrate( cas:13940-83-5 ).COA of Formula: F2H8NiO4. 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:13940-83-5) here.

Combinations of N-heterocyclic carbenes (NHCs) and fluoride salts of the iron-group metals (Fe, Co, and Ni) have been shown to be excellent catalysts for the cross-coupling reactions of aryl Grignard reagents (Ar1MgBr) with aryl and heteroaryl halides (Ar2X) to give unsym. biaryls (Ar1-Ar2). Iron fluorides in combination with SIPr (1,3-bis(2,6-diisopropylphenyl)imidazolinium hydrochloride), a saturated NHC ligand, catalyze the biaryl cross-coupling between various aryl chlorides and aryl Grignard reagents in high yield and high selectivity. On the other hand, cobalt and nickel fluorides in combination with IPr (1,3-bis(2,6-diisopropylphenyl)imidazolium hydrochloride), an unsaturated NHC ligand, exhibit interesting complementary reactivity in the coupling of aryl bromides or iodides; in contrast, with these substrates the iron catalysts show a lower selectivity. The formation of homocoupling byproducts is suppressed markedly to less than 5% in most cases by choosing the appropriate metal fluoride/NHC combination. The present catalyst combinations offer several synthetic advantages over existing methods: practical synthesis of a broad range of unsym. biaryls without the use of palladium catalysts and phosphine ligands. On the basis of stoichiometric control experiments and theor. studies, the origin of the unique catalytic effect of the fluoride counterion can be ascribed to the formation of a higher-valent heteroleptic metalate [Ar1MF2]MgBr as the key intermediate in our proposed catalytic cycle. First, stoichiometric control experiments revealed the stark differences in chem. reactivity between the metal fluorides and metal chlorides. Second, DFT calculations indicate that the initial reduction of di- or trivalent metal fluoride in the wake of transmetalation with PhMgCl is energetically unfavorable and that formation of a divalent heteroleptic metalate complex, [PhMF2]MgCl (M = Fe, Co, Ni), is dominant in the metal fluoride system. The heteroleptic ate-complex serves as a key reactive intermediate, which undergoes oxidative addition with PhCl and releases the biaryl cross-coupling product Ph-Ph with reasonable energy barriers. The present cross-coupling reaction catalyzed by iron-group metal fluorides and an NHC ligand provides a highly selective and practical method for the synthesis of unsym. biaryls as well as the opportunity to gain new mechanistic insights into the metal-catalyzed cross-coupling reactions.

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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: 13940-83-5, is researched, Molecular F2H8NiO4, about Highly Selective Biaryl Cross-Coupling Reactions between Aryl Halides and Aryl Grignard Reagents: A New Catalyst Combination of N-Heterocyclic Carbenes and Iron, Cobalt, and Nickel Fluorides, the main research direction is unsym biaryl preparation; cross coupling reaction aryl Grignard reagent aryl heteroaryl halide; nitrogen heterocyclic carbene iron fluoride catalyst cross coupling reaction.COA of Formula: F2H8NiO4.

Combinations of N-heterocyclic carbenes (NHCs) and fluoride salts of the iron-group metals (Fe, Co, and Ni) have been shown to be excellent catalysts for the cross-coupling reactions of aryl Grignard reagents (Ar1MgBr) with aryl and heteroaryl halides (Ar2X) to give unsym. biaryls (Ar1-Ar2). Iron fluorides in combination with SIPr (1,3-bis(2,6-diisopropylphenyl)imidazolinium hydrochloride), a saturated NHC ligand, catalyze the biaryl cross-coupling between various aryl chlorides and aryl Grignard reagents in high yield and high selectivity. On the other hand, cobalt and nickel fluorides in combination with IPr (1,3-bis(2,6-diisopropylphenyl)imidazolium hydrochloride), an unsaturated NHC ligand, exhibit interesting complementary reactivity in the coupling of aryl bromides or iodides; in contrast, with these substrates the iron catalysts show a lower selectivity. The formation of homocoupling byproducts is suppressed markedly to less than 5% in most cases by choosing the appropriate metal fluoride/NHC combination. The present catalyst combinations offer several synthetic advantages over existing methods: practical synthesis of a broad range of unsym. biaryls without the use of palladium catalysts and phosphine ligands. On the basis of stoichiometric control experiments and theor. studies, the origin of the unique catalytic effect of the fluoride counterion can be ascribed to the formation of a higher-valent heteroleptic metalate [Ar1MF2]MgBr as the key intermediate in our proposed catalytic cycle. First, stoichiometric control experiments revealed the stark differences in chem. reactivity between the metal fluorides and metal chlorides. Second, DFT calculations indicate that the initial reduction of di- or trivalent metal fluoride in the wake of transmetalation with PhMgCl is energetically unfavorable and that formation of a divalent heteroleptic metalate complex, [PhMF2]MgCl (M = Fe, Co, Ni), is dominant in the metal fluoride system. The heteroleptic ate-complex serves as a key reactive intermediate, which undergoes oxidative addition with PhCl and releases the biaryl cross-coupling product Ph-Ph with reasonable energy barriers. The present cross-coupling reaction catalyzed by iron-group metal fluorides and an NHC ligand provides a highly selective and practical method for the synthesis of unsym. biaryls as well as the opportunity to gain new mechanistic insights into the metal-catalyzed cross-coupling reactions.

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Quinoxaline – Wikipedia,
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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 Chemical shifts observed in Lα X-ray emission lines of elements in the range of 26 ≤ Z ≤ 30 in their halogen compounds, published in 2012-05-31, which mentions a compound: 13940-83-5, Name is Nickel(ii)fluoridetetrahydrate, Molecular F2H8NiO4, Formula: F2H8NiO4.

The chem. shifts and full widths at half maximum intensity of Lα x-ray emission lines of elements in the range 26 ≤ Z ≤ 30 were studied in their halogen compounds using a wavelength-dispersive X-ray fluorescence spectrometry. The chem. shifts for F based compounds are higher than that of Cl and Br based compounds

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Nickel(ii)fluoridetetrahydrate(SMILESS: [H]O[H].[H]O[H].[H]O[H].[H]O[H].[Ni+2].[F-].[F-],cas:13940-83-5) is researched.Electric Literature of C11H13OP. The article 《Photoelectron spectra induced by x-rays of above 600 nonmetallic compounds containing 77 elements》 in relation to this compound, is published in Matematisk-Fysiske Meddelelser – Kongelige Danske Videnskabernes Selskab. Let’s take a look at the latest research on this compound (cas:13940-83-5).

The photoelectron spectra induced by Al (1486.6 eV) or Mg (1253.6 eV) x-ray excitation of >600 compounds indicate that the chem. shift (dI) of the ionization energy (I) of the inner shells is not only dependent on the oxidation state of a given element, but also on the ligands. Even for a fixed oxidation state, dI was 2-8 eV in a comparative study of all elements which are neither noble gases nor strongly radioactive. However, this conclusion is, to some extent, modified by reproducible pos. potentials on nonconducting samples which were measured at 1-4V in typical cases and compared with the theory for almost ionic cubic crystals and with experiments with mixtures of nonconducting powd. MgF2, BaSO4, and ThF4 and metals such as Au, Tl2O3, and CuS. The widths and highly varying intensities of photoelectron signals are theor. discussed. The d and f shells of transition and post-transition group atoms give relatively intense signals even for I 8-30 eV since the 1486.6-eV photons most readily ionize shells with small average radii. Interesting relations can be established with electron transfer spectra and optical electronegativities. Special satellites occur in Cu(II), La(III) and other lanthanide compounds The adaptation of the electronic d. of the neighbor atoms in the ionized system contribute to dI which cannot be explained exclusively on the basis of fractional at. charges and the Madelung potential.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 8-Hydroxyquinoline 1-oxide(SMILESS: OC1=CC=CC2=CC=C[N+]([O-])=C12,cas:1127-45-3) is researched.Related Products of 852445-83-1. The article 《Theoretical investigation of the second and third order nonlinear optical properties of some fused heterocyclic aromatic compounds》 in relation to this compound, is published in Proceedings of SPIE-The International Society for Optical Engineering. Let’s take a look at the latest research on this compound (cas:1127-45-3).

The results of coupled perturbed Hartree-Fock (CPHF) ab initio extended basis set calculations on the geometric structures, dipole moments, static first-order (α), second-order (β), and third-order polarizabilities (γ) of fused heterocyclic aromatic compounds based on quinoline are reported. The effects of the presence/absence of the nitrogen atom as well as the introduction of other substituents (OH, NH2, NO2) at various positions in the ring system on these mol. properties are described. The effect of the presence of N-oxide is also examined Suggestions for the design of heterocyclic systems with enhanced polarizabilities are made.

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