Day: April 2, 2022

Application In Synthesis of 5-Methylfuran-2(3H)-one. 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 Conversion of Biomass-Derived Methyl Levulinate to Methyl Vinyl Ketone. Author is El Ouahabi, Fatima; Smit, Wietse; Angelici, Carlo; Polyakov, Mykola; Rodemerck, Uwe; Fischer, Christine; Kalevaru, V. Narayana; Wohlrab, Sebastian; Tin, Sergey; van Klink, Gerard P. M.; van der Waal, Jan C.; Orange, Francois; de Vries, Johannes G..

A high-throughput screening exercise testing 60 different catalysts resulted in 5 wt % Pt on sulfided carbon as the best catalyst in the conversion of bio-based Me levulinate (ML) to Me vinyl ketone (MVK) in a gas-phase continuous process. Up to 18% yield of MVK was obtained, but fast catalyst deactivation was observed For a better understanding of the reaction mechanism, the potential reaction intermediates [α-angelica lactone (α-AL), γ-valerolactone, Me Et ketone (MEK), and levulinic acid (LA)] were also fed as starting materials under the same reaction conditions as those used for ML. Of the different pathways possible, the route via AL seems to be the most likely route. Since the side product methanol led to the hydrogenation of MVK to MEK, LA is a better substrate in this reaction toward MVK at a medium reaction temperature Herein, we report the highest yield of MVK (>50%) from LA at 350°C. However, this knowledge of the reaction pathway via AL also opened up the possibility of a high-temperature conversion process of ML to MVK. It was found that ML could be converted to MVK in 71% selectivity at 600°C using 40% CaO on γ-Al2O3 as the catalyst. Here, the catalyst merely serves to accelerate the ring closure of ML to AL, which undergoes an electrocyclic reaction under extrusion of CO to form MVK.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Nucleophilic heteroaromatic substitution. XXVII. Piperidino dechlorination and methoxy dechlorination of 6- and 8-alkyl-4-chloroquinolines. Steric hindrance to specific solvation》. Authors are Calligaris, Mario; Illuminati, Gabriello; Marino, Gianlorenzo.The article about the compound:4-Chloro-8-methylquinolinecas:18436-73-2,SMILESS:CC1=C2N=CC=C(Cl)C2=CC=C1).Reference of 4-Chloro-8-methylquinoline. Through the article, more information about this compound (cas:18436-73-2) is conveyed.

Kinetic data for the reaction of 6- and 8-alkyl-substituted 4-chloroquinolines with piperidine in four different solvents and with NaOMe in MeOH were obtained and compared. The tert-butyl group located at the position peri to the aza group is found to cause rate-depressing effects and significant increases in the energy and entropy of activation when the solvent is hydroxylic (methanol) whereas only minor changes are observed in aprotic or poor proton-donor solvents (toluene, HCONMe2, and piperidine). The results are interpreted in terms of steric inhibition of specific solvation (H bonding). 15 references.

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Quality Control of 5-Methylfuran-2(3H)-one. 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 Cigar leaf differences from different producing areas based on aroma component analysis. Author is Yu, Hang; Liu, Yanting; Shang, Mengqi; Huang, Guangli; Fang, Yi; Lin, Lin; Qu, Yaling; Zuo, Qiaomei.

In order to investigate the leaf aroma chem. differences for cigar samples from different producing areas, 79 aroma components in 47 cigar samples from different countries were determined In addition, the differences in contents and odor activity values of aroma components among Cuban cigars, foreign non-Cuban cigars and Chinese cigars were compared by significance tests. The results showed that there were significant differences in the contents of 43 aroma components among the cigars from different producing areas, and the differences in the contents of α-curcumene and cedrol were the most significant. The contents of degradation products from chlorophyll and cembranoids in Cuban cigars were higher, those of phenylalanines and labdanums in foreign non-Cuban cigars and that of chlorophyll in Chinese cigars were lower. The 79 aroma components had higher odor activity values in fruit and flower flavors. Cuban cigars had higher odor activity values in herbal spices, fruit, flower and other flavors. Foreign non-Cuban cigars had lower odor activity values in plant, fruit, nut, flower and other flavors. The discriminant functions established by taking the contents of aroma components as variables can distinguish the producing areas of com. cigars.

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Pyrimidine | C4H4N2 – PubChem,
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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, Journal fuer Praktische Chemie (Leipzig) called Synthetic and natural phellandrene., Author is Kondakow, J.; Schindelmeiser, J., 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.

[Machine Translation of Descriptors]. Carvomenthene, from carvomenthylchloride represented, became after REYCHLER into tertiary carvomenthol and over with 12 mm and 83.5-84.5° boiling. Chloride, D204; 0.932, into tertiary carvomenthene, C10H18, transferred. Boiling point 174-176°; D204; 0.811; nD = 1.45709, molecular refraction 46.23. Dibromide, under strong cooling in petroleum-ether prepared, Kp11; 130-144°. D204; 1.208, optical-inactively, separates no HBr, however alcoholic KOH supplies a hydrocarbon, from the main quantity with 175-180° with boiling D204; 0.825, nD = 1.46693, the smaller part with 180-185°. D204; 0.828, nD = 1.4673; molecular refraction 45.56. Both optical-inactive fractions color intensively raspberry red in a solution of acetic anhydride by H2SO4 and are undoubtedly different from the output hydrocarbon. Under consideration of the formation of the new hydrocarbon from carvomenthol author writes it from SEMMLER, (Ber. German Chem. Society 36. 1779; C. 1903. II. 116) for the phellandrene determined constitution without being able to prove the identity. Phellandrene from phellandrum aquaticum, boiling point 165-168°, D204; 0.844, nD = 1.47575, [α] D20 = 8° 37′. Molecular refraction a mixture of monochloride and dichloride gives 45.28, which probably contains an optical-inactive isomer, with HCl in glacial acetic acid. Monochloride, C10H17Cl, Kp11; 86°, melting point about 110° in the melted out tube, optically dextrorotatory. Dichloride, C10H18Cl2, Kp16; 122.5-125°, D204, 1.006, nD20 = 1.48516.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Compounds affecting fertility in adult houseflies》. Authors are LaBrecque, G. C.; Gouck, H. K..The article about the compound:5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloridecas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl).Name: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride. Through the article, more information about this compound (cas:148-51-6) is conveyed.

Of 1100 compounds that were tested, 20 caused sterility in adult Musca domestica when given in the food. P,P-Bis(1-aziridinyl)-N-(p-methoxyphenyl)phosphinic amide, 5-fluoroorotic acid, and 1,4-piperazinediylbis[bis(1-aziridinyl)phosphinic oxide] induced sterility without apparent toxic effect over the broadest range of concentrations, from 5% to 0.1% or 0.25%.

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Pyrimidine | C4H4N2 – PubChem,
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COA of Formula: C10H8ClN. 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: 4-Chloro-8-methylquinoline, is researched, Molecular C10H8ClN, CAS is 18436-73-2, about Synthesis of bicyclic N-arylmethyl-substituted iminoribitol derivatives as selective nucleoside hydrolase inhibitors. Author is Berg, Maya; Bal, Gunther; Goeminne, Annelies; Van der Veken, Pieter; Versees, Wim; Steyaert, Jan; Haemers, Achiel; Augustyns, Koen.

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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Pyrimidine | C4H4N2 – PubChem,
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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Preparation of 3-hydroxy-5-hydroxymethyl-2,4-dimethylpyridine (4-deoxyadermine)》. Authors are Wibaut, J. P.; Uhlenbroek, J. H.; Kooijman, E. C.; Kettenes, D. K..The article about the compound:5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloridecas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl).Electric Literature of C8H12ClNO2. Through the article, more information about this compound (cas:148-51-6) is conveyed.

The preparation of 4-deoxyadermine (I) as described earlier (CA 38, 32849) was improved to give a total yield 15%. Ac2CH2 (25 g.) was slowly added to a refluxing solution of 21 g. NCCH2CONH2 in 150 ml. EtOH and 3 ml. piperidine to give 97% 2-hydroxy-3-cyano-4,6-dimethylpyridine (II), m. 294°, which on nitration with HNO3 (d. 1.52) in Ac2O at 45-50° gave a 5-nitro derivative (III) m. 268° in 70% yield. A mixture of 50 g. dry III and 65 g. PCl5 was treated with 30 ml. POCl3 and heated to 130°, to yield 71% 2,4-dimethyl-3-nitro-5-cyano-6-chloropyridine, m. 112-13° (EtOH), which was reduced by Pd-C in MeOH and aqueous HCl to give 70-5% 2,4-dimethyl-3-amino 5-aminomethylpyridine di-HCl salt monohydrate (IV), m. 310° (decomposition). The reaction of IV with Ba(NO2)2 and H2SO4 at 0°, and subsequent heating to 90° afforded 45% I, m. 264°.

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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.Dai, Zhen-Yao; Wang, Pu-Sheng; Gong, Liu-Zhu researched the compound: 5-Methylfuran-2(3H)-one( cas:591-12-8 ).Quality Control of 5-Methylfuran-2(3H)-one.They published the article 《Access to chiral γ-butenolides via palladium-catalyzed asymmetric allylic C-H alkylation of 1,4-dienes》 about this compound( cas:591-12-8 ) in Chemical Communications (Cambridge, United Kingdom). Keywords: gamma butenolide preparation; pentadiene alpha angelica lactone allylic alkylation palladium catalyst. We’ll tell you more about this compound (cas:591-12-8).

Allylic C-H alkylation of 1,4-pentadienes with α-angelica lactones has been developed by tri-axial phosphoramidite-palladium catalysis. This reaction can tolerate a range of functional groups under mild conditions, furnishing versatile chiral γ,γ-disubstituted butenolides I (R = Me, i-Pr, Cy, etc.; Ar = C6H5, 4-MeC6H4, 4-FC6H4, etc.) in high yields with good to high levels of stereoselectivity.

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Safety of 5-Methylfuran-2(3H)-one. 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 Photochemistry of 2-butenedial and 4-oxo-2-pentenal under atmospheric boundary layer conditions. Author is Newland, Mike J.; Rea, Gerard J.; Thuner, Lars P.; Henderson, Alistair P.; Golding, Bernard T.; Rickard, Andrew R.; Barnes, Ian; Wenger, John.

Unsaturated 1,4-dicarbonyl compounds, such as 2-butenedial and 4-oxo-2-pentenal are produced in the atm. boundary layer from the oxidation of aromatic compounds and furans. These species are expected to undergo rapid photochem. processing, affecting atm. composition In this study, the photochem. of (E)-2-butenedial and both E and Z isomers of 4-oxo-2-pentenal was investigated under natural sunlight conditions at the large outdoor atm. simulation chamber EUPHORE. Photochem. loss rates, relative to j(NO2), are determined to be j((E)-2-butenedial)/j(NO2) = 0.14 (±0.02), j((E)-4-oxo-2-pentenal)/j(NO2) = 0.18 (±0.01), and j((Z)-4-oxo-2-pentenal)/j(NO2) = 0.20 (±0.03). The major products detected for both species are a furanone (30-42%) and, for (E)-2-butenedial, maleic anhydride (2,5-furandione) (12-14%). The mechanism appears to proceed predominantly via photoisomerization to a ketene-enol species following γ-H abstraction. The lifetimes of the ketene-enol species in the dark from 2-butenedial and 4-oxo-2-pentenal are determined to be 465 s and 235 s, resp. The ketene-enol can undergo ring closure to yield the corresponding furanone, or further unimol. rearrangement which can subsequently form maleic anhydride. A minor channel (10-15%) also appears to form CO directly. This is presumed to be via a mol. elimination route of an initial biradical intermediate formed in photolysis, with an unsaturated carbonyl (detected here but not quantified) as co-product. α-Dicarbonyl and radical yields are very low, which has implications for ozone production from the photo-oxidation of unsaturated 1,4-dicarbonyls in the boundary layer. Photochem. removal is determined to be the major loss process for these species in the boundary layer with lifetimes of the order of 10-15 min, compared to >3 h for reaction with OH.

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Computed Properties of C5H6O2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Elucidation of surface active sites by formic acid adsorbed IR studies in the hydrogenation of levulinic acid to valeric acid over rare earth metal doped titania supported nickel catalysts. Author is Peddakasu, Ganga Bhavani; Velisoju, Vijay Kumar; Gutta, Naresh; Medak, Sudhakar; Dumpalapally, Mahesh; Akula, Venugopal.

Titania supported Ni catalyst modified by different lanthanides (La, Ce, Pr and Nd) were evaluated for the one-step conversion of levulinic acid (LA) to valeric acid (VA) using formic acid as a hydrogen source. Among these, the La modified Ni/TiO2 demonstrated better VA yields with an optimum LA to VA mole ratio of 1:3. Pyridine and/or formic acid adsorbed IR studies revealed that presence of weak Lewis and strong basic sites present on the Ni-La/TiO2 surface was the reason for higher VA selectivity. The physicochem. characteristics of the modified Ni-M/TiO2 (M = La, Ce, Pr and Nd) catalysts deduced from H2-TPR, N2O titration, TPD of NH3 and catalytic activity data emphasized a combination of metallic Ni with surface acid-base sites were responsible for the formation of VA in single step. Using aqueous γ-valerolactone, 99% selectivity towards VA was achieved. A plausible reaction mechanism has been proposed based on the kinetic data obtained at moderate temperatures and ambient pressures.

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