Month: April 2022

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Bromo-3-methoxypropanoic acid(SMILESS: O=C(O)C(Br)COC,cas:65090-78-0) is researched.Quality Control of 5-Methylfuran-2(3H)-one. The article 《New and alternate synthesis of lacosamide with chemoenzymatic method》 in relation to this compound, is published in Journal of Chemical and Pharmaceutical Research. Let’s take a look at the latest research on this compound (cas:65090-78-0).

Lacosamide [(R)-2-acetamido-N-benzyl-3-methoxy propionamide] 5 is a novel antiepileptic drug. Lacosamide was prepared by a chem. method with enzymic resolution of racemic lacosamide. Herein is reported an expedient four-steps enantioselective synthesis of lacosamide 5 beginning with Me 2,3-dibromo propionate 1. A new resolution process catalyzed by Novozyme 435. The products were obtained in very good yields and in a state of high purity. All the newly synthesized compounds (2-5) were characterized by their spectral (IR, 1H NMR, C13 NMR and MS) data.

After consulting a lot of data, we found that this compound(65090-78-0)Quality Control of 2-Bromo-3-methoxypropanoic acid can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about One-pot direct conversion of levulinic acid into high-yield valeric acid over a highly stable bimetallic Nb-Cu/Zr-doped porous silica catalyst, the main research direction is niobium copper zirconium silica catalyst levulinic valeric acid biofuel.Quality Control of 5-Methylfuran-2(3H)-one.

The direct conversion of levulinic acid (LA) to valeric biofuel is highly promising for the development of biorefineries. Herein, LA is converted into valeric acid (VA) via one-pot direct cascade conversion over non-noble metal-based Nb-doped Cu on Zr-doped porous silica (Nb-Cu/ZPS). Under mild reaction conditions (150°C and 3.0 MPa H2 for 4 h), LA was completely converted into VA in high yield (99.8%) in aqueous medium with a high turnover frequency of 0.038 h-1. The Lewis acid sites of ZPS enhanced the adsorption of LA on the catalyst surface, and both the Lewis and Bronsted acidity associated with Nb2O5 and the metallic Cu0 sites promoted catalysis of the cascade hydrogenation, ring cyclization, ring-opening, and hydrogenation reactions to produce VA from LA. The bimetallic Nb-Cu/ZPS catalyst was also effective for the conversion of VA into various valeric esters in C1-C5 alc. media. The presence of Nb2O5 effectively suppressed metal leaching and coke formation, which are serious issues in the liquid-phase conversion of highly acidic LA during the reaction. The catalyst could be used for up to five consecutive cycles with marginal loss of activity, even without catalyst re-activation.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Related Products of 276684-04-9. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid, is researched, Molecular C10H6Cl2N2O2, CAS is 276684-04-9, about Application of a Parallel Synthetic Strategy in the Discovery of Biaryl Acyl Sulfonamides as Efficient and Selective NaV1.7 Inhibitors. Author is DiMauro, Erin F.; Altmann, Stephen; Berry, Loren M.; Bregman, Howard; Chakka, Nagasree; Chu-Moyer, Margaret; Bojic, Elma Feric; Foti, Robert S.; Fremeau, Robert; Gao, Hua; Gunaydin, Hakan; Guzman-Perez, Angel; Hall, Brian E.; Huang, Hongbing; Jarosh, Michael; Kornecook, Thomas; Lee, Josie; Ligutti, Joseph; Liu, Dong; Moyer, Bryan D.; Ortuno, Daniel; Rose, Paul E.; Schenkel, Laurie B.; Taborn, Kristin; Wang, Jean; Wang, Yan; Yu, Violeta; Weiss, Matthew M..

The majority of potent and selective hNaV1.7 inhibitors possess common pharmacophoric features that include a heteroaryl sulfonamide headgroup and a lipophilic aromatic tail group. Recently, reports of similar aromatic tail groups in combination with an acyl sulfonamide headgroup have emerged, with the acyl sulfonamide bestowing levels of selectivity over hNaV1.5 comparable to the heteroaryl sulfonamide. Beginning with com. available carboxylic acids that met selected pharmacophoric requirements in the lipophilic tail, a parallel synthetic approach was applied to rapidly generate the derived acyl sulfonamides. A biaryl acyl sulfonamide hit from this library was elaborated, optimizing for potency and selectivity with attention to physicochem. properties. The resulting novel leads are potent, ligand and lipophilic efficient, and selective over hNaV1.5. Representative lead I demonstrates selectivity over other human NaV isoforms and good pharmacokinetics in rodents. The biaryl acyl sulfonamides reported herein may also offer ADME advantages over known heteroaryl sulfonamide inhibitors.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Recommanded Product: 591-12-8. 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: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Understanding the Origin of Maleic Anhydride Selectivity during the Oxidative Scission of Levulinic Acid.

Biomass-derived levulinic acid (LA) is a green platform chem., and we have previously reported an oxidative scission pathway that selectively transforms it into maleic anhydride (MA). This reaction is curious because it requires oxidative scission of the terminal (methyl) carbon in levulinic acid, whereas gas-phase Me ketone oxidations are typically selective toward internal (alkyl) bond scission. In order to probe the origin of this disparity, we consider trends observed during the oxidative scission of ketones, keto acids, and keto acid analogs, and we highlight influences of steric hindrances, α-carbon substitution, and the presence of a secondary carboxylic acid functionality. We further consider the role of cyclic intermediates, namely Angelica lactones, in mediating selectivity during the oxidative scission of levulinic acid. Our kinetic anal. is supported by FTIR spectroscopy, which reveals the formation of hydrogen-deficient surface intermediates prior to the onset of oxidative scission. Finally, we pair short-contact-time selectivity anal. with GCMS and NMR spectroscopy to identify a previously undisclosed reaction intermediate-protoanemonin-that forms during the oxidative scission of levulinic acid and α-Angelica lactone. We conclude that facile oxidative dehydrogenation of β-Angelica lactone to form protoanemonin is the major driving force for the high selectivity toward Me scission during levulinic acid oxidation We also note that protoanemonin is an intriguing polyfunctional mol. that appears well-suited to bio-based production, and we have observed that it can be synthesized in yields from 55% to 75% (albeit at low concentration presently) during periods of transient reactor operation.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Babu, Krishnan Suresh; Paradesi, Deivanayagam published an article about the compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride( cas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl ).Product Details of 148-51-6. 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:148-51-6) through the article.

A new reversed-phase high-performance liquid chromatog. (RP-HPLC) method has been developed for the separation and identification of impurities present in metadoxine. Herein, we report that one of the impurities eluted from the metadoxine sample is 4-deoxypyridoxine hydrochloride (4-DPH). In HPLC anal., the retention time (RT) of 4-DPH was observed to be at 13.5 min in both the reference and metadoxine samples and the relative retention time (RRT) was 1.71. The presence of 4-DPH in a metadoxine sample was also confirmed by a chromatogram obtained by spiking the 4-DPH standard into the sample. Furthermore, the elution and mass of impurity 4-DPH in metadoxine was proven by LC-mass spectroscopy studies. This method highlights the presence of another unknown impurity that has so far not been observed in earlier methods of metadoxine evaluation. Hence, the developed method achieved superior resolution between metadoxine and impurities and thereby facilitates the production of a purer metadoxine drug.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-Methylfuran-2(3H)-one( cas:591-12-8 ) is researched.Name: 5-Methylfuran-2(3H)-one.Sakai, Takaaki; Hirashima, Shin-ichi; Matsushima, Yasuyuki; Nakano, Tatsuki; Ishii, Daiki; Yamashita, Yoshifumi; Nakashima, Kosuke; Koseki, Yuji; Miura, Tsuyoshi published the article 《Synthesis of Chiral γ,γ-Disubstituted γ-Butenolides via Direct Vinylogous Aldol Reaction of Substituted Furanone Derivatives with Aldehydes》 about this compound( cas:591-12-8 ) in Organic Letters. Keywords: hydroxymethyl butenolide regioselective diastereoselective enantioselective preparation; stereoselective vinylogous aldol addition butenolide aldehyde sulfonamide squaramide catalyst. Let’s learn more about this compound (cas:591-12-8).

In the presence of a quinine-derived squaramide-sulfonamide, aldehydes RCHO (R = 4-ClC6H4, 3-ClC6H4, 2-ClC6H4, 4-BrC6H4, 4-F3CC6H4, Ph, 4-MeC6H4, 4-MeOC6H4, 1-naphthyl, 2-naphthyl, 2-furanyl, cyclohexyl, BuCH2) underwent regioselective, diastereoselective, and enantioselective vinylogous aldol addition reactions with γ-substituted β,γ-butenolides such as γ-angelica lactone to yield anti-(hydroxymethyl)butenolides such as I (R = 4-ClC6H4, 3-ClC6H4, 2-ClC6H4, 4-BrC6H4, 4-F3CC6H4, Ph, 4-MeC6H4, 4-MeOC6H4, 1-naphthyl, 2-naphthyl, 2-furanyl, cyclohexyl, BuCH2) in up to 95% ee.

After consulting a lot of data, we found that this compound(591-12-8)Name: 5-Methylfuran-2(3H)-one can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about Studies on anticoccidial agents. Part VI. Modification at the 2-position of 4-deoxypyridoxol and α4-norpyridoxol, the main research direction is pyridoxol derivative anticoccidial; norpyridoxol derivative anticoccidial; coccidiostat pyridoxol norpyridoxol.Reference of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride.

The title derivatives I (R = Me, R1 = Et; R = R1 = H; R = H, R1 = HOCH2; R = H, R1 = MeO) were prepared Thus, I (R = H, R1 = Me) was treated with PhCH2Cl and the product oxidized and treated with Ac2O to give 2-(acetoxymethyl)-3-(benzyloxy)-5-(benzyloxymethyl)pyridine, which was hydrolyzed and hydrogenated to give I (R = H, R1 = HOCH2). At 200 ppm I (R = H, R1 = MeO) had anticoccidial activity against Eimeria acervulina.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

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, Meta-Analysis, Review, Addiction (Abingdon, England) called Smoking cessation in severe mental illness: what works?, Author is Banham, Lindsay; Gilbody, Simon, which mentions a compound: 148-51-6, SMILESS is OC1=C(C)C(CO)=CN=C1C.[H]Cl, Molecular C8H12ClNO2, Safety of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride.

AIMS: The physical health of people with severe mental illness (SMI) is poor. Smoking-related illnesses are a major contributor to excess mortality and morbidity. An up-to-date review of the evidence for smoking cessation interventions in SMI is needed to inform clinical guidelines. METHODS: We searched bibliographic databases for relevant studies and independently extracted data. Included studies were randomized controlled trials (RCTs) of smoking cessation or reduction conducted in adult smokers with SMI. Interventions were compared to usual care or placebo. The primary outcome was smoking cessation and secondary outcomes were smoking reduction, change in weight, change in psychiatric symptoms and adverse events. RESULTS: We included eight RCTs of pharmacological and/or psychological interventions. Most cessation interventions showed moderate positive results, some reaching statistical significance. One study compared behavioural support and nicotine replacement therapy (NRT) to usual care and showed a risk ratio (RR) of 2.74 (95% CI 1.10-6.81) for short-term smoking cessation, which was not significant at longer follow-up. We pooled five trials that effectively compared bupropion to placebo giving an RR of 2.77 (95% CI 1.48-5.16), which was comparable to Hughes et al.’s 2009 figures for general population data; RR = 1.69 (95% CI 1.53-1.85). Smoking reduction data were too heterogeneous for meta-analysis, but results were generally positive. Trials suggest few adverse events. All trials recorded psychiatric symptoms and the most significant changes favoured the intervention groups over the control groups. CONCLUSIONS: Treating tobacco dependence is effective in patients with SMI. Treatments that work in the general population work for those with severe mental illness and appear approximately equally effective. Treating tobacco dependence in patients with stable psychiatric conditions does not worsen mental state.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Berg, Maya; Bal, Gunther; Goeminne, Annelies; Van der Veken, Pieter; Versees, Wim; Steyaert, Jan; Haemers, Achiel; Augustyns, Koen published the article 《Synthesis of bicyclic N-arylmethyl-substituted iminoribitol derivatives as selective nucleoside hydrolase inhibitors》. Keywords: bicyclic iminoribitol selective nucleoside hydrolase inhibitor structure activity.They researched the compound: 4-Chloro-8-methylquinoline( cas:18436-73-2 ).Electric Literature of C10H8ClN. 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:18436-73-2) here.

The purine metabolism of Trypanosoma and Leishmania spp. provides a good target in the search for new selective drugs. Bicyclic N-arylmethyl-substituted iminoribitols were developed as inhibitors of T. vivax nucleoside hydrolase, a key enzyme of the purine salvage pathway. The obtained results and structure-activity data confirmed our model for inhibitor binding with a hydrogen bond between a nitrogen atom of the nucleobase mimetic and the protonated Asp40 from the enzyme. This interaction depends on an optimal pKa value, which can be influenced by the electronic properties of the substituents. These compounds are potent, selective inhibitors of nucleoside hydrolase and are inactive toward human nucleoside phosphorylase.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

COA of Formula: C5H6O2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Investigation of solvent effects in the hydrodeoxygenation of levulinic acid to γ-valerolactone over Ru catalysts. Author is Mamun, Osman; Saleheen, Mohammad; Bond, Jesse Q.; Heyden, Andreas.

Liquid phase, reductive deoxygenation of biomass derived platform chems. over transition metal surfaces constitutes an efficient scheme for upgrading lignocellulosic biomass. The solvation effects on the reaction kinetics of the hydrodeoxygenation (HDO) of levulinic acid (LA) towards the formation of γ-valerolactone (GVL) over Ru(0 0 0 1) has been studied in three condensed phase media, i.e., liquid water, methanol, and 1,4-dioxane. Detailed microkinetic models have been developed incorporating various catalytic pathways including formation of 4-hydroxypentanoic acid (HPA) and α-angelicalactone (AGL) to simulate the catalytic activity of Ru(0 0 0 1) under various reaction conditions of solvent, temperature, and partial pressures. Our microkinetic models suggest that direct catalytic conversion with alkoxy formation is the preferred reaction mechanism in all reaction environments. Furthermore, we find that water facilitates the reaction kinetics significantly and that the solvent effect is strongest at lower temperatures (T < 373 K). Here, rate increases due to liquid water solvation effects of 2-4 orders of magnitude are observed All solvents increase the rate of reaction relative to the gas phase; however, solvation effects decrease with decrease in polarity. 1,4-dioxane increases the rate only minimally due to competitive adsorption of the solvent mols. despite facilitating the partially rate controlling step of the LA hydrogenation to an alkoxy intermediate. After consulting a lot of data, we found that this compound(591-12-8)COA of Formula: C5H6O2 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia