Day: March 30, 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: 591-12-8, is researched, Molecular C5H6O2, about Efficient formation of γ-valerolactone in the vapor-phase hydrogenation of levulinic acid over Cu-Co/alumina catalyst, the main research direction is valerolactone levulinic acid hydrogenation copper cobalt alumina catalyst.Name: 5-Methylfuran-2(3H)-one.

Vapor-phase hydrogenation of levulinic acid (LA) to γ-valerolactone (GVL) was investigated over Al2O3-supported bimetallic Cu-Co catalysts with different Cu/Co weight ratios under ambient H2 pressure. The bimetallic Cu-Co/Al2O3 catalyst with a Cu/Co weight ratio of 8/12 exhibits an excellent catalytic activity and stability: it showed a high GVL productivity of 5.46 kg kg-1cat. h-1 with a GVL selectivity higher than 99% at 250°C for 24 h. In the characterization of the catalysts, powder X-ray diffraction suggests that bimetallic Cu-Co particles on the Cu-Co/Al2O3 catalysts are composed of an alloy.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

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: 591-12-8, is researched, SMILESS is O=C1OC(C)=CC1, Molecular C5H6O2Journal, Article, Research Support, Non-U.S. Gov’t, Angewandte Chemie, International Edition called Alkene Difunctionalization Triggered by a Stabilized Allenyl Radical: Concomitant Installation of Two Unsaturated C-C Bonds, Author is Wei, Yunlong; Zhang, Hong; Wu, Xinxin; Zhu, Chen, the main research direction is radical alkynylalkenylation enynylalkenylation alkenes dual function sulfone reagent; alkene difunctionalization; alkyne; allenyl radical; radical reactions; rearrangement.COA of Formula: C5H6O2.

Radical-mediated difunctionalization of alkenes provides a promising approach to introduce one alkenyl or alkynyl group to target compounds However, simultaneous installation of two unsaturated C-C bonds via alkene difunctionalization remains elusive, attributable to the high instability and transient lifetimes of alkenyl and alkynyl radicals. Herein, we report the photocatalytic 1,2-alkynylalkenylation and 1,2-enynylalkenylation of alkenes for the first time, triggered by the intermol. addition of a stabilized allenyl radical to an alkene. A portfolio of strategically designed, easily accessible dual-function reagents are applied to a radical docking-migration cascade. The protocol has broad substrate scope and efficiently increases the degree of unsaturation

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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.Product Details of 591-12-8.David, Geraldo Ferreira; Pereira, Sarah de Paiva Silva; Fernandes, Sergio Antonio; Cubides-Roman, Diana Catalina; Siqueira, Rogerio Krohling; Perez, Victor Haber; Lacerda, Valdemar Jr. published the article 《Fast pyrolysis as a tool for obtaining levoglucosan after pretreatment of biomass with niobium catalysts》 about this compound( cas:591-12-8 ) in Waste Management (Oxford, United Kingdom). Keywords: levoglucosan preparation biomass sugarcane bagasse husk pyrolysis; Biomass pretreatment; Fast pyrolysis; Lignocellulosic agro-industrial wastes; Niobium catalysts; Pyrolytic sugars. Let’s learn more about this compound (cas:591-12-8).

Levoglucosan (LGA) is a promising chem. platform derived from the pyrolysis of biomass that offers access to a variety of value-added products. We report an efficient route to produce LGA via the pretreatment of biomass with niobium compounds (oxalate, chloride and oxide) followed by fast pyrolysis coupled with gas chromatog.-mass spectrometry (Py-GC-MS) at temperatures of 350-600°C. Catalytic pretreatment reduces the quantity of lignin in the biomass, concentrates the cellulose and enhance LGA formation during fast pyrolysis. The pretreatment also removes alk. metals, preventing competitive side reactions. The effect of several parameters such as catalyst weight, time, temperature, and solvent, with the optimal pretreatment conditions determined to be 3 (weight%) niobium oxalate for 1 h at 23°C in water. Pretreatment increased the LGA yields by 6.40-fold for sugarcane bagasse, 4.15-fold for elephant grass, 4.13-fold for rice husk, 2.86-fold for coffee husk, and 1.86-fold for coconut husk as compared to the raw biomasses. These results indicate that biomass pretreatment using niobium derivates prior fast pyrolysis can be a promising technique for biomass thermochem. conversion in LGA and others important pyrolytic products.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Product Details of 148-51-6. 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-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about Inhibition of colitis by ring-modified analogues of 6-acetamido-2,4,5-trimethylpyridin-3-ol.

6-Aminopyridin-3-ol scaffold has shown an excellent anti-inflammatory bowel disease activity. Various analogs with the scaffold were synthesized in pursuit of the diversity of side chains tethering on the C(6)-position. SAR among the analogs was investigated to understand the effects of the side chains and their linkers on their anti-inflammatory activities. In this study, structural modification moved beyond side chains on the C(6)-position and reached to pyridine ring itself. It expedited to synthesize diverse ring-modified analogs of a representative pyridine-3-ol, 6-acetamido-2,4,5-trimethylpyridin-3-ol. In the evaluation of compounds on their inhibitory actions against TNF-α-induced adhesion of monocytic cells to colonic epithelial cells, an in vitro model mimicking colon inflammation, the effects of compounds I , II, and III were greater than tofacitinib, an orally available anti-colitis drug, and compound dehydroxylated analog II exhibit the greatest activity. In addition, TNF-α-induced angiogenesis, which permits more inflammatory cell migration into inflamed tissues, was significantly blocked by compounds I and II in a concentration-dependent manner. In the comparison of in vivo therapeutic effects of compounds I , II, and III on dextran sulfate sodium (DSS)-induced colitis in mice, compound dehydroxylated analog II was the most potent and efficacious, and compound demethylated analog III was better than compound I which exhibited a similar degree of inhibitory effect to tofacitinib.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

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 Rapid Microwave-Assisted, Solvent-Free Approach to Functionalization of 8-Methylquinolines via Rh-Catalyzed C(sp3)-H Activation, published in 2019, which mentions a compound: 18436-73-2, Name is 4-Chloro-8-methylquinoline, Molecular C10H8ClN, Electric Literature of C10H8ClN.

A microwave-assisted synthesis of aryl (quinolinyl)acetamide derivatives I [R1 = H, 6-Cl, 4-Br, etc.; R2 = 3-Me, 4-F, 4-Cl, etc.] and quinolinyl (methyl)benzamide II via Rh-catalyzed C(sp3)-H activation of 8-methylquinoline under solvent-free condition was reported. In comparison with traditional method, this reaction proceeded more efficiently with excellent yield, a broad range substrate scope and good functional group tolerance.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Klapper, Martin; Schlabach, Kevin; Paschold, Andre; Zhang, Shuaibing; Chowdhury, Somak; Menzel, Klaus-Dieter; Rosenbaum, Miriam A.; Stallforth, Pierre published an article about the compound: 5-Methylfuran-2(3H)-one( cas:591-12-8,SMILESS:O=C1OC(C)=CC1 ).Reference of 5-Methylfuran-2(3H)-one. 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:591-12-8) through the article.

Butenolides are well-known signaling mols. in Gram-pos. bacteria. Here, we describe a novel class of butenolides isolated from a Gram-neg. Pseudomonas strain, the styrolides. Structure elucidation was aided by the total synthesis of styrolide A. Transposon mutagenesis enabled us to identify the styrolide biosynthetic gene cluster, and by using a homol. search, we discovered the related and previously unknown acaterin biosynthetic gene cluster in another Pseudomonas species. Mutagenesis, heterologous expression, and identification of key shunt and intermediate products were crucial to propose a biosynthetic pathway for both Pseudomonas-derived butenolides. The Whole Genome Shotgun project for P. fluorescens HKI0874 has been deposited at DDBJ/ENA/GenBank under the accession VCNJ00000000.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(SMILESS: OC1=C(C)C(CO)=CN=C1C.[H]Cl,cas:148-51-6) is researched.Formula: C5H6N2O2. The article 《Action site of antagonists of vitamin B6 in the central nervous system of frogs and cockroaches》 in relation to this compound, is published in Journal of Nutritional Science and Vitaminology. Let’s take a look at the latest research on this compound (cas:148-51-6).

Treatment with thiosemicarbazide [79-19-6], semicarbazide-HCl [563-41-7], isoniazide [54-85-3], DL-penicillamine [52-66-4], or toxopyrimidine [73-67-6] induced wild leaping or jumping behavior, and tonic or clonic convulsions in the frog (Rana nigromaculata) in which the nervous parts posterior to the optic lobe inclusive remained intact. No convulsions were induced by castrix [535-89-7] or 4-deoxypyridoxine-HCl [148-51-6] in frogs in which the nervous parts anterior to the diencephalon inclusive had been removed. Excessive restlessness and convulsions were induced by thiosemicarbazide in cockroaches (Periplaneta americana) in which the central nerve cord was severed between the subesophageal and prothoracic ganglia.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Name: 5-Chloro-4-iodopyridin-2-amine. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 5-Chloro-4-iodopyridin-2-amine, is researched, Molecular C5H4ClIN2, CAS is 1260667-65-9, about Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies. Author is Barlaam, Bernard; Casella, Robert; Cidado, Justin; Cook, Calum; De Savi, Chris; Dishington, Allan; Donald, Craig S.; Drew, Lisa; Ferguson, Andrew D.; Ferguson, Douglas; Glossop, Steve; Grebe, Tyler; Gu, Chungang; Hande, Sudhir; Hawkins, Janet; Hird, Alexander W.; Holmes, Jane; Horstick, James; Jiang, Yun; Lamb, Michelle L.; McGuire, Thomas M.; Moore, Jane E.; O’Connell, Nichole; Pike, Andy; Pike, Kurt G.; Proia, Theresa; Roberts, Bryan; San Martin, Maryann; Sarkar, Ujjal; Shao, Wenlin; Stead, Darren; Sumner, Neil; Thakur, Kumar; Vasbinder, Melissa M.; Varnes, Jeffrey G.; Wang, Jianyan; Wang, Lei; Wu, Dedong; Wu, Liangwei; Yang, Bin; Yao, Tieguang.

A CDK9 inhibitor having short target engagement would enable a reduction of Mcl-1 activity, resulting in apoptosis in cancer cells dependent on Mcl-1 for survival. We report the optimization of a series of amidopyridines (from compound 2), focusing on properties suitable for achieving short target engagement after i.v. administration. By increasing potency and human metabolic clearance, we identified compound 24, a potent and selective CDK9 inhibitor with suitable predicted human pharmacokinetic properties to deliver transient inhibition of CDK9. Furthermore, the solubility of 24 was considered adequate to allow i.v. formulation at the anticipated ED. Short-term treatment with compound 24 led to a rapid dose- and time-dependent decrease of pSer2-RNAP2 and Mcl-1, resulting in cell apoptosis in multiple hematol. cancer cell lines. Intermittent dosing of compound 24 demonstrated efficacy in xenograft models derived from multiple hematol. tumors. Compound 24 is currently in clin. trials for the treatment of hematol. malignancies.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Application of 591-12-8. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Experimental and modeling studies on the Ru/C catalyzed levulinic acid hydrogenation to γ-valerolactone in packed bed microreactors. Author is Hommes, Arne; ter Horst, Arie Johannes; Koeslag, Meine; Heeres, Hero Jan; Yue, Jun.

The hydrogenation of levulinic acid (LA) to γ-valerolactone (GVL) was performed in perfluoroalkoxy alkane capillary microreactors packed with a carbon-supported ruthenium (Ru/C) catalyst with an average particle diameter of 0.3 or 0.45 mm. The reaction was executed under an upstream gas-liquid slug flow with 1,4-dioxane as the solvent and H2 as the hydrogen donor in the gas phase. Operating conditions (i.e., flow rate and gas to liquid flow ratio, pressure, temperature and catalyst particle size) were varied in the microreactor to determine the influence of mass transfer and kinetic characteristics on the reaction performance. At 130°C, 12 bar H2 and a weight hourly space velocity of the liquid feed (WHSV) of 3.0 gfeed/(gcat·h), 100% LA conversion and 84% GVL yield were obtained. Under the conditions tested (70-130°C and 9-15 bar) the reaction rate was affected by mass transfer, given the notable effect of the mixture flow rate and catalyst particle size on the LA conversion and GVL yield at a certain WHSV. A microreactor model was developed by considering gas-liquid-solid mass transfer therein and the reaction kinetics estimated from the literature correlations and data. This model well describes the measured LA conversion for varying operating conditions, provided that the internal diffusion and kinetic rates were not considered rate limiting. Liquid-solid mass transfer of hydrogen towards the external catalyst surface was thus found dominant in most experiments The developed model can aid in the further optimization of the Ru/C catalyzed levulinic acid hydrogenation in packed bed microreactors.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Recommanded Product: 148-51-6. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about Amino derivatives of pyridoxine and its analogs. Author is Yakovleva, N. L.; Balyakina, M. V.; Gunar, V. L..

I [(R = OH, R1 = Me, R2 = CH2OH (II); RR1 = OCMe2CH2O, R2 = CHOH; R = OH, R1 = CH2OH, R2 = Me] with OP(NMe2)3 gave III [R = OH, R1 = Me, R2 = CH2NMe2 (IV); R = OH, R1 = CH2OH, R2 = CH2NMe2; R = OH, R1 = CH2 NMe2, R2 = Me]. Heating II with SOCl2 gave I (R = OH, R1 = Me, R2 = CH2Cl), which was transformed to IV by reaction with Me2NH. Reaction of V (R3 = Cl) with HNMe2 gave V (R3 = NMe2).

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia