Day: April 8, 2022

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: 1300746-79-5, is researched, Molecular C13H8CuF3N2, about Late-Stage Conversion of a Metabolically Labile Aryl Methyl Ether-Containing Natural Product to Fluoroalkyl Analogues, the main research direction is aryl methyl ether fluoroalkyl preparation; phenol fluoroalkyl preparation; dextromethorphan fluoroalkyl fluoroalkoxy analog preparation.Safety of (1,10-Phenanthroline)(trifluoromethyl)copper(I).

We report the conversion of aryl Me ethers and phenols into six fluoroalkyl analogs I (R = OCF3, OCF2H, CF3, CF2H, CF2CF3, CF2Me) through late-stage functionalization of a natural product-derived FDA-approved therapeutic. This series of short synthetic sequences exploits a combination of both modern and traditional methods and demonstrates that some recently reported methods do not always work as well as desired on a natural product-like scaffold. Nonetheless, reaction optimization can deliver sufficient quantities of each target analog for medicinal chem. purposes. In some cases, classical reactions and synthetic sequences still out-compete modern organofluorine transformations, which should encourage the continued search for improved reactions. Overall, the project provides a valuable synthetic road map for medicinal chemists to access a range of fluorinated therapeutic candidates with distinct physicochem. properties relative to the original O-based analog.

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Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Amino-4,6-dichloro-5-methylpyrimidine(SMILESS: CC1=C(N=C(N)N=C1Cl)Cl,cas:7153-13-1) is researched.Safety of 3-Hydroxy-3-phenylpropanenitrile. The article 《Structure-Activity Studies on a Series of a 2-Aminopyrimidine-Containing Histamine H4 Receptor Ligands》 in relation to this compound, is published in Journal of Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:7153-13-1).

A series of 2-aminopyrimidines, e.g. I (R1 = H, Me, OMe, NH2, Ph; R2 = H, Cl, I, NHMe, NMe2, Ph, 2-MeOC6H4, 1-naphthyl, 4-pyridyl, etc.), was synthesized as ligands of the histamine H4 receptor (H4R). Starting from a pyrimidine hit that was identified in an HTS campaign, SAR studies were carried out to optimize the potency, which led to compound I (R1 = H; R2 = t-Bu). This compound was further studied by systematically modifying the core pyrimidine moiety, the methylpiperazine at position 4, the NH2 at position 2, and positions 5 and 6 of the pyrimidine ring. The pyrimidine 6 position benefited the most from this optimization, especially in analogs in which the 6-tert-Bu was replaced with aromatic and secondary amine moieties. The highlight of the optimization campaign was compound I (R1 = H; R2 = 4-NCC6H4), which was potent in vitro and was active as an anti-inflammatory agent in an animal model and had antinociceptive activity in a pain model, which supports the potential of H4R antagonists in pain.

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Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Safety of 3-Hydroxy-3-phenylpropanenitrile. 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. Compound: 3-Hydroxy-3-phenylpropanenitrile, is researched, Molecular C9H9NO, CAS is 17190-29-3, about Efficient nickel catalyst for coupling of acetonitrile with aldehydes.

A nickel complex of a diarylamido-based PNP ligand is an efficient and robust catalyst for coupling of acetonitrile with aldehydes. The most effective catalyst used in this study was [2-[bis(1-methylethyl)phosphino-κP]-N-[2-[bis(1-methylethyl)phosphino-κP]-4-methylphenyl]-4-(methyl)benzenaminato-κN]chloro nickel triflate.

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Reference:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

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: 17190-29-3, is researched, Molecular C9H9NO, about A cobalt-phosphine complex as mediator in the formation of carbon-carbon bonds, the main research direction is cobalt phosphine catalyst carbon bond formation; carbonyl addition halocarbon cobalt catalyst.Safety of 3-Hydroxy-3-phenylpropanenitrile.

Co(PMe3)4, either preformed or prepared in situ by reduction of 1:4 CoCl2 and Me3P with Mg metal in THF, is an efficient mediator for the reaction of carbonyl compounds R1R2CO with activated halocarbons XCR3R4COR5 to give alcs. HOCR1R2CR3R4COR5 (R1 = alkyl, alkenyl, aryl; R2, R3, R4 = H, alkyl; R5 = OMe, OEt, OBu-t, NEt2; R4R5 = CH2CH2O; X = Cl, Br). The reaction proceeds with good yields under very mild conditions and can be carried out in a 1-pot procedure with only a catalytic amount of Co(PMe3)4, provided sufficient Mg metal is also present.

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Reference:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 3-Hydroxy-3-phenylpropanenitrile(SMILESS: N#CCC(O)C1=CC=CC=C1,cas:17190-29-3) is researched.Related Products of 814-94-8. The article 《Ionization of an α-hydrogen of acetonitrile by n-butyllithium and alkali amides. Condensations with ketones and aldehydes to form β-hydroxynitriles》 in relation to this compound, is published in Journal of Organic Chemistry. Let’s take a look at the latest research on this compound (cas:17190-29-3).

MeCN underwent mainly ionization of an α-H with BuLi in tetrahydrofuran-hexane, rather than an addition reaction involving the CN group. The former course of reaction was evidenced by an addition of the resulting lithioacetonitrile to benzophenone (I), to form 89% 3-hydroxy-3,3-diphenylpropanonitrile. Similarly, an α-H of MeCN was ionized by Na, Li, and K amides in liquid NH3 and the resulting alkali acetonitrile condensed with I to give this β-hydroxynitrile in 93, 85, and 69% yields, resp. The BuLi method was extended to several other ketones and to BzH. These results illustrate convenient methods for the synthesis of such β-hydroxynitriles, which can be dehydrated with acid to form the corresponding unsaturated nitriles. 26 references.

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Reference:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Tin(II) oxalate, is researched, Molecular C2O4Sn, CAS is 814-94-8, about In-situ synthesis, thermal and mechanical properties of biobased poly(ethylene 2,5-furandicarboxylate)/montmorillonite (PEF/MMT) nanocomposites, the main research direction is polyethylene furandicarboxylate montmorillonite nanocomposite synthesis thermal mech property.Related Products of 814-94-8.

Poly(ethylene 2,5-furandicarboxylate) (PEF) is an emerging biobased polyester well-known for high gas barrier properties as well as high tensile modulus and strength, but PEF modification is still desired to improve its crystallization rate, toughness and even strength. In this study, PEF/Montmorillonite (MMT) nanocomposites were in-situ synthesized via melt polycondensation of di-Me furandicarboxylate and ethylene glycol in the presence of a com. available organically modified montmorillonite (OMMT), i.e., DK2, a montmorillonite clay modified with octadecyl hydroxyethyl di-Me ammonium. The structure of nanocomposites was characterized by ATR-FTIR, 1H NMR, WAXD and TEM, and their thermal and mech. properties were assessed with DSC, TGA and tensile test. The OMMT was grafted with PEF chains and therefore exfoliated, at least partially, in the PEF matrix with intrinsic viscosity over 0.7 dL/g. With respect to pristine PEF, the nanocomposites containing 2.5 wt% DK2 showed significantly improved melt crystallization, tensile modulus and strength.

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Reference:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Electric Literature of C4H9Cl2N3. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: (1H-Imidazol-2-yl)methanamine dihydrochloride, is researched, Molecular C4H9Cl2N3, CAS is 22600-77-7, about Structure-Guided Screening for Functionally Selective D2 Dopamine Receptor Ligands from a Virtual Chemical Library. Author is Maennel, Barbara; Jaiteh, Mariama; Zeifman, Alexey; Randakova, Alena; Moeller, Dorothee; Huebner, Harald; Gmeiner, Peter; Carlsson, Jens.

Functionally selective ligands stabilize conformations of G protein-coupled receptors (GPCRs) that induce a preference for signaling via a subset of the intracellular pathways activated by the endogenous agonists. The possibility to fine-tune the functional activity of a receptor provides opportunities to develop drugs that selectively signal via pathways associated with a therapeutic effect and avoid those causing side effects. Animal studies have indicated that ligands displaying functional selectivity at the D2 dopamine receptor (D2R) could be safer and more efficacious drugs against neuropsychiatric diseases. In this work, computational design of functionally selective D2R ligands was explored using structure-based virtual screening. Mol. docking of known functionally selective ligands to a D2R homol. model indicated that such compounds were anchored by interactions with the orthosteric site and extended into a common secondary pocket. A tailored virtual library with close to 13 000 compounds bearing 2,3-dichlorophenylpiperazine, a privileged orthosteric scaffold, connected to diverse chem. moieties via a linker was docked to the D2R model. Eighteen top-ranked compounds that occupied both the orthosteric and allosteric site were synthesized, leading to the discovery of 16 partial agonists. A majority of the ligands had comparable maximum effects in the G protein and β-arrestin recruitment assays, but a subset displayed preference for a single pathway. In particular, compound I stimulated β-arrestin recruitment (EC50 = 320 nM, Emax = 16%) but had no detectable G protein signaling. The use of structure-based screening and virtual libraries to discover GPCR ligands with tailored functional properties will be discussed.

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Reference:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Quality Control of 3-Hydroxy-3-phenylpropanenitrile. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 3-Hydroxy-3-phenylpropanenitrile, is researched, Molecular C9H9NO, CAS is 17190-29-3, about Alkyliron and alkylcobalt reagents. IV. Aldehyde selective cyanoalkylation with cyanoalkyl derivatives of iron(II) and other transition metals. Author is Kauffmann, Thomas; Kieper, Hans Joerg; Pieper, Hans.

The Fe reagent NCCH2FeCl is a good alternative to the known Ti reagent NCCH2Ti(OCHMe2)3 for the transfer of the cyanomethyl residue with high aldehyde vs. ketone selectivity; analogous reagents with the metals Mn, Co, Ni or Cu are unfavorable. For the aldehyde vs. ketone-selective transfer of the branched residues 1-cyanoethyl and cyanoisopropyl, the Fe reagents are distinctly better than the Ti reagents.

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Reference:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine, is researched, Molecular C8H7BrO2, CAS is 52287-51-1, about Mills-Nixon effect. IV. Base-catalyzed cleavage of trimethylsilylveratrole, -1,3-benzodioxole, and -1,4-benzodioxane derivatives, the main research direction is Mills Nixon effect; cleavage trimethylsilyl; veratrole trimethylsilyl cleavage; benzodioxole trimethylsilyl cleavage; benzodioxan trimethylsilyl cleavage.Product Details of 52287-51-1.

The rates of detrimethylsilylation of 3,4-(RO)2C6H3SiMe3 (I, R = Me or RR = CH2 or CH2CH2) by NaOH dissolved in H2O-Me2SO (1:9) were measured at 30°. I (RR = CH2) was more reactive than the other 2 compounds This was explained in terms of hybridization changes enforced on the ring junction carbons by the strained dioxole ring.

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Reference:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine( cas:52287-51-1 ) is researched.Synthetic Route of C8H7BrO2.Dauksas, V.; Udrenaite, E. published the article 《Anomalous nitration reactions of 1,4-benzodioxan derivatives》 about this compound( cas:52287-51-1 ) in Lietuvos TSR Aukstuju Mokyklu Mokslo Darbai, Chemija ir Chemine Technologija. Keywords: benzodioxan nitration. Let’s learn more about this compound (cas:52287-51-1).

Dinitrobenzodioxan (I, R = Et, R1 = R2 = NO2) was obtained in 90% yield by nitration of I (R = Et, R1 = NO2, R2 = H) with 75% HNO3 2 hr at 25°. Oxidation of I (R = COMe, R1 = Br, R2 = H) gave 99% I (R = CO2H, R1 = Br, R2 = H) which was nitrated with 75% HNO3 6 hr at 90° to give 46% I (R = NO2, R1 = Br, R2 = H). Analogously obtained was 41% I (R = R1 = NO2, R2 = H) and 30% I (R = COCH2NO2, R1 = NO2, R2 = H). Nitration of I (R = R1 = H, R2 = NO2) gave a mixture containing I (R = H, R1 = R2 = NO2), I (R = R2 = NO2, R1 = H), and 5,8-dinitro-1,4-benzodioxan.

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Reference:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics