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 Tiered intake assessment for food colors, published in 2020, which mentions a compound: 25956-17-6, Name is Sodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl)naphthalene-2-sulfonate, Molecular C18H14N2Na2O8S2, Reference of Sodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl)naphthalene-2-sulfonate.

A tiered intake assessment approach, ranging from the conservative default, refined budget method to refined dietary exposure assessments using national food consumption surveys is presented and applied to derive maximum potential global color intake estimates Industry-reported global use levels were assigned as the maximum level. Conservative intake assessments for food colors used in non-alc. beverages were estimated for the general population 2 + y, toddlers, children 3-9 y, adolescents 10-17 y, adults 18-64 y, elderly 65-74 y, very elderly 75 + y based on assumed uses in high intake markets. Refined dietary exposures were estimated using either the 2-day food consumption data from the 2013-2016 US National Health and Nutrition Examination Survey or the 4-day food consumption data from the 2008-2016 U. K. National Diet and Nutrition Survey Rolling Program. Strong concordance between the refined budget method, the brand-loyal deterministic approach was shown, in which the latter assumes that the maximum use level of the color is present in 100% of non-alc. beverages. This study shows that safety of colors – both synthetic and natural – in beverages at proposed use levels can be supported for any geog., with all intake estimates falling below the acceptable daily intake in refined assessments. Importantly, this study demonstrates that the refined budget method is a valid first-tier screening assessment to prioritise food colors that may benefit from more refined intake assessments when warranted.

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

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.Yang, Sabyuk; Hong, Soon Hyeok researched the compound: 6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine( cas:52287-51-1 ).Computed Properties of C8H7BrO2.They published the article 《Palladium-Catalyzed Direct C-H Arylation of Arenes Promoted by Quaternary Ammonium Salt》 about this compound( cas:52287-51-1 ) in Asian Journal of Organic Chemistry. Keywords: biaryl preparation regioselective; arene aryl bromide arylation palladium catalyzed. We’ll tell you more about this compound (cas:52287-51-1).

A new Pd-based catalytic system for the direct C-H arylation of arenes was developed. The use of a substoichiometric amount of quaternary ammonium salt as an additive with a Pd source achieved the direct arylation of unactivated arenes under milder reaction conditions in moderate to high yields. The ammonium salt generated the anionic palladium complex, thereby facilitating arylation by a concerted metalation-deprotonation process.

Here is just a brief introduction to this compound(52287-51-1)Computed Properties of C8H7BrO2, more information about the compound(6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine) is in the article, you can click the link below.

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

Synthetic Route of C18H14N2Na2O8S2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Sodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl)naphthalene-2-sulfonate, is researched, Molecular C18H14N2Na2O8S2, CAS is 25956-17-6, about An Eco-Friendly RP-HPLC Method for the Separation and Trace Determination of Selected Food Colorant Residues in Foodstuffs Utilizing Superheated Water. Author is Lateefa A. Al-Khateeb.

A simple and precise RP-HPLC method has been developed and validated for the separation and trace determination of selected food colorant residues, namely, Tartrazine (E102), Sunset Yellow (E110) and Allura Red (E129), in water samples. The colorants were separated in less than five minutes using buffered distilled water as a mobile phase on a superheated hybrid ODS X-Bridge RP-C18 column (150 x 3.5μm, 4.6 mm i.d.). Van’t Hoff plots were linear for all the tested colorants at different mobile phases and without any significant changes in their retention factors or the transition stage of the stationary phase. The lower limits of detection for E102 and E110 were found to be 0.5 and 0.016 mg/mL, resp., whereas for E129 it was 0.0004 mg/mL. The proposed method was checked for its accuracy and precision and was applied to determine the selected colorants in soft drinks and environmental water samples with acceptable recoveries in the range from 83.5 ± 1.9 to 114 ± 3%.

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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: 3-Hydroxy-3-phenylpropanenitrile, is researched, Molecular C9H9NO, CAS is 17190-29-3, about A Robust Nickel Catalyst for Cyanomethylation of Aldehydes: Activation of Acetonitrile under Base-Free Conditions, the main research direction is nickel catalyst cyanomethylation aldehyde acetonitrile; CH bond activation; aldol reaction; nickel; phosphane ligands; synthetic methods.COA of Formula: C9H9NO.

In this article, the author discusses an inexpensive, air- and moisture-stable nickel cyanomethyl complex capable of catalyzing the coupling of aldehydes and acetonitrile without adding any base or additive. The catalytic turnover numbers (TONs up to 82000) are the highest ever for such a transformation. A preliminary mechanistic study is consistent with the mode of activation of acetonitrile.

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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: Tin(II) oxalate(SMILESS: O=C([O-])C([O-])=O.[Sn+2],cas:814-94-8) is researched.Quality Control of Bromoferrocene. The article 《Preparation of shape-controlled electric-eel-inspired SnO2@C anode materials via SnC2O4 precursor approach for energy storage》 in relation to this compound, is published in Journal of Materials Science. Let’s take a look at the latest research on this compound (cas:814-94-8).

A tin dioxide/carbon composite (SnO2@C) with controlled shape is fabricated using a two-step method, which includes preparation of SnC2O4 precursors and subsequent heat treatment process. SnC2O4 precursors with different morphologies are synthesized by controlling the different proportions of tin sources, and some characterization techniques are carried out to screen out the optimum precursors. And the precursors are further annealed to obtain nanostructured SnO2 and coated with carbon film. Ultimately, shape-controlled SnO2@C anode materials are prepared, and the reaction process and electrochem. properties of SnO2@C composites as anode materials are further studied. The SnO2@C composite shows the capacity of 659.4 mAh g-1 after 100 cycles at a c.d. of 100 mA g-1. Even at the rate of 2000 mA g-1, the composite electrode can maintain a reversible capacity of 507.2 mAh g-1. The excellent electrochem. performance is beneficial to the synergistic effect between the carbon coating film and the nanostructured SnO2, which provides sufficient lithium storage sites, good electronic conductivity and void space to relieve the volume expansion.

Here is just a brief introduction to this compound(814-94-8)Name: Tin(II) oxalate, more information about the compound(Tin(II) oxalate) is in the article, you can click the link below.

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: 6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine(SMILESS: BrC1=CC=C2OCCOC2=C1,cas:52287-51-1) is researched.Name: Bis(acetylacetonato)dioxomolybdenum(VI). The article 《Air-Stable PdI Dimer Enabled Remote Functionalization: Access to Fluorinated 1,1-Diaryl Alkanes with Unprecedented Speed》 in relation to this compound, is published in Angewandte Chemie, International Edition. Let’s take a look at the latest research on this compound (cas:52287-51-1).

This work features a remote arylation in less than 10 min reaction time at room temperature over a distance of up to 11 carbons. The unprecedented speed was enabled by the air-stable PdI dimer [Pd(μ-I)(PCy2t-Bu)]2, which in contrast to its PtBu3 counterpart does not trigger direct coupling at the initiation site, but regioconvergent and chemoselective remote functionalization to yield valuable fluorinated 1,1-diaryl alkanes. This study combined exptl. and computational studies rationalize the origins of switchability, which were primarily due to differences in dispersion interactions.

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

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.Zou, Ling; Pottel, Joshua; Khuri, Natalia; Ngo, Huy X.; Ni, Zhanglin; Tsakalozou, Eleftheria; Warren, Mark S.; Huang, Yong; Shoichet, Brian K.; Giacomini, Kathleen M. researched the compound: Sodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl)naphthalene-2-sulfonate( cas:25956-17-6 ).Computed Properties of C18H14N2Na2O8S2.They published the article 《Interactions of Oral Molecular Excipients with Breast Cancer Resistance Protein, BCRP》 about this compound( cas:25956-17-6 ) in Molecular Pharmaceutics. Keywords: BCRP excipient; BCRP; drug−excipient interaction; excipient. We’ll tell you more about this compound (cas:25956-17-6).

Mechanistic-understanding-based selection of excipients may improve formulation development strategies for generic drug products and potentially accelerate their approval. Our study aimed at investigating the effects of mol. excipients present in orally administered FDA-approved drug products on the intestinal efflux transporter, BCRP (ABCG2), which plays a critical role in drug absorption with potential implications on drug safety and efficacy. We determined the interactions of 136 oral mol. excipients with BCRP in isolated membrane vesicles and identified 26 excipients as BCRP inhibitors with IC50 values less than 5 μM using 3H-cholecystokinin octapeptide (3H-CCK8). These BCRP inhibitors belonged to three functional categories of excipients: dyes, surfactants, and flavoring agents. Compared with noninhibitors, BCRP inhibitors had significantly higher mol. weights and SLogP values. The inhibitory effects of excipients identified in membrane vesicles were also evaluated in BCRP-overexpressing HEK293 cells at similar concentrations Only 1 of the 26 inhibitors of BCRP identified in vesicles inhibited BCRP-mediated 3H-oxypurinol uptake by more than 50%, consistent with the notion that BCRP inhibition depends on transmembrane or intracellular availability of the inhibitors. Collectively, the results of this study provide new information on excipient selection during the development of drug products with active pharmaceutical ingredients that are BCRP substrates.

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

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: 17190-29-3, is researched, SMILESS is N#CCC(O)C1=CC=CC=C1, Molecular C9H9NOJournal, Tetrahedron Letters called Facile conversion of epoxides to β-hydroxy nitriles under anhydrous conditions with lithium cyanide, Author is Ciaccio, James A.; Stanescu, Catherine; Bontemps, Jongnic, the main research direction is epoxide cyanation regioselective stereoselective lithium cyanide; nitrile hydroxy; hydroxy nitrile.Safety of 3-Hydroxy-3-phenylpropanenitrile.

Functionalized epoxides, e.g. cyclohexene oxide, are easily and efficiently converted to β-hydroxy nitriles, e.g. trans-2-hydroxycyclohexanecarbonitrile, in good yield with high regio- and stereoselectivity upon treatment with lithium cyanide in refluxing anhydrous THF. The conditions described permit a one-pot conversion of epoxide to 1,3-amino alc. via hydride reduction of the nitrile.

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

Wang, Yuzhuo; Wang, Lei; Chen, Mingjie; Tu, Youshao; Liu, Yu; Zhang, Junliang published an article about the compound: 6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine( cas:52287-51-1,SMILESS:BrC1=CC=C2OCCOC2=C1 ).Application of 52287-51-1. 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:52287-51-1) through the article.

An efficient palladium-catalyzed enantioselective carboamination reaction of N-Boc-O-homoallyl-hydroxylamines and N-Boc-pent-4-enylamines with aryl or alkenyl bromides was developed, delivering various substituted isoxazolidines I [R = H, Me; R1 = Ph, 3-thienyl, 2-naphthyl, etc.] and pyrrolidines II [R1 = 4-PhC6H4, 3,4-MeO2C6H3, 1-naphthyl, etc.; R2 = H, Me; R3 = Boc, Cbz] in good yields with up to 97% ee. The reaction featured mild conditions, general substrate scope and scalability. The obtained products could be transformed into chiral 1,3-aminoalc. derivatives without erosion of chirality. The newly identified Xu-Phos ligand bearing an ortho-OiPr group was responsible for the good yield and high enantioselectivity.

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Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Saito, Yutaro; Segawa, Yasutomo; Itami, Kenichiro published the article 《para-C-H Borylation of benzene derivatives by a bulky iridium catalyst》. Keywords: boration monosubstituted benzene para selective iridium BIPHEP catalyst; arylboronic ester preparation para selective boration aromatic substitution.They researched the compound: (1,10-Phenanthroline)(trifluoromethyl)copper(I)( cas:1300746-79-5 ).Application of 1300746-79-5. 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:1300746-79-5) here.

A highly para-selective aromatic C-H borylation has been accomplished. By a new iridium catalyst bearing a bulky diphosphine ligand, Xyl-MeO-BIPHEP, the C-H borylation of monosubstituted benzenes can be affected with para-selectivity up to 91%. This catalytic system is quite different from the usual iridium catalysts that cannot distinguish meta- and para-C-H bonds of monosubstituted benzene derivatives, resulting in the preferred formation of meta-products. The para-selectivity increases with increasing bulkiness of the substituent on the arene, indicating that the regioselectivity of the present reaction is primarily controlled by steric repulsion between substrate and catalyst. Caramiphen, an anticholinergic drug used in the treatment of Parkinson’s disease, was converted into five derivatives via our para-selective borylation. The present [Ir(cod)OH]2/Xyl-MeO-BIPHEP catalyst represents a unique, sterically controlled, para-selective, aromatic C-H borylation system that should find use in streamlined, predictable chem. synthesis and in the rapid discovery and optimization of pharmaceuticals and materials.

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