Day: April 2, 2022

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 The β-carotene-oxygen copolymer: Its relationship to apocarotenoids and β-carotene function, the main research direction is beta carotene oxygen copolymer preparation chem breakdown apocarotenoid preparation.Reference of 5-Methylfuran-2(3H)-one.

β-Carotene spontaneously copolymerizes with mol. oxygen to form a β-carotene-oxygen copolymer compound (“”copolymer””) as the main product, together with small amounts of many apocarotenoids. Both the addition and scission products are interpreted as being formed during progression through successive free radical β-carotene-oxygen adduct intermediates. The product mixture from full oxidation of β-carotene, lacking both vitamin A and β-carotene, has immunol. activities, some of which are derived from the copolymer. However, the copolymer’s chem. makeup is unknown. A chem. breakdown study shows the compound to be moderately stable but nevertheless the latent source of many small apocarotenoids. GC-MS anal. with mass-spectral library matching identified a min. of 45 structures, while more than 90 others remain unassigned. Newly identified products include various small keto carboxylic acids and dicarboxylic acids, several of which are central metabolic intermediates. Also present are glyoxal and Me glyoxal dialdehydes, recently reported as β-carotene metabolites in plants. Although both compounds at higher concentrations are known to be toxic, at low concentration, Me glyoxal has been reported to be potentially capable of activating an immune response against microbial infection. In plants, advantage is taken of the electrophilic reactivity of specific apocarotenoids derived from β-carotene oxidation to activate protective defenses. Given that the copolymer occurs naturally and is a major product of non-enzymic β-carotene oxidation in stored plants, by partially sequestering apocarotenoid metabolites, the copolymer may serve to limit potential toxicity and maintain low cellular apocarotenoid concentrations for signaling purposes. In animals, the copolymer may serve as a systemic source of apocarotenoids.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Related Products 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 PON1 increases cellular DNA damage by lactone substrates. Author is Shangula, S.; Noori, M.; Ahmad, I.; Margison, G. P.; Liu, Y.; Siahmansur, T.; Soran, H.; Povey, A. C..

Paraoxonase 1 (PON1) is a high-d. lipoprotein (HDL)-associated enzyme that by hydrolyzing exogenous and endogenous substrates can provide protection against substrate induced toxicity. To investigate the extent to which PON1 provides protection against lactone induced DNA damage, DNA damage was measured in HepG2 cells using the neutral Comet assay following lactone treatment in the presence and absence of exogenous recombinant PON1 (rPON1). Low dose lactones (10 mM) caused little or no damage while high doses (100 mM) induced DNA damage in the following order of potency: α-angelica lactone > γ-butyrolactone > γ-hexalactone > γ-heptalactone > γ-octaclactone >γ-furanone > γ-valerolactone > γ-decalactone. Co-incubation of 100 mM lactone with rPON1, resulted in almost all cells showing extensive DNA damage, particularly with those lactones that decreased rPON1 activity by > 25%. DNA damage induced by a 1 h co-treatment with 10 mM α-angelica lactone and rPON1 was reduced when cells when incubated for a further 4 h in fresh medium suggesting break formation was due to induced DNA damage rather than apoptosis. These results suggest that in addition to its well-recognized detoxification effects, PON1 can increase genotoxicity potentially by hydrolyzing certain lactones to reactive intermediates that increase DNA damage via the formation of DNA adducts.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Application of 591-12-8. 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 Ozonolysis of α-angelica lactone: a renewable route to malonates. Author is DellAcqua, Andrea; Wille, Lukas; Stadler, Bernhard M.; Tin, Sergey; de Vries, Johannes G..

Industrially relevant intermediates such as malonic acid, malonates and 3-oxopropionates waseasily accessed by ozonolysis of α-angelica lactone, derived from the platform chem. levulinic acid. The roles of the solvent and of the quenching conditions were of key importance for the outcome of the reaction.

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Pyrimidine | C4H4N2 – PubChem,
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Quality Control of 5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid, is researched, Molecular C10H6Cl2N2O2, CAS is 276684-04-9, about Utility of β-(3,4-dichlorobenzoyl)-α-(phenylthio)propionic acid in heterocyclic synthesis. Author is Mahmoud, M. R.; Soliman, E. A.; Ibrahim, G. A.; Rabie, A. M..

β-(3,4-Dichlorobenzoyl)-α-(phenylthio)propionic acid (I) was prepared via the treatment of β-(3,4-dichlorobenzoyl)acrylic acid (II) with thiophenol in dry benzene. The reactivity of I and II with different nucleophilic reagents was investigated; the mass spectra of some products are discussed.

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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: 148-51-6, is researched, SMILESS is OC1=C(C)C(CO)=CN=C1C.[H]Cl, Molecular C8H12ClNO2Journal, Article, Brain Research called Convulsive effects of 4-deoxypyridoxine and of bicuculline in photosensitive baboons (Papio papio) and in rhesus monkeys (Macaca mulatta), Author is Meldrum, B. S.; Horton, R. W., the main research direction is pyridoxine antagonist convulsant; bicuculline convulsant; aminobutyrate neurotransmitter epilepsy.Reference of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride.

4-Deoxypyridoxine HCl (I) [148-51-6] administered i.v. at 40-100 mg/kg enhanced the natural syndrome of photosynthetic epilepsy in baboons and increased the severity of photically-induced myoclonus so that it progressed to a tonic-clonic seizure. In subconvulsive doses I provoked epileptic afterdischarges in the occipital cortex of monkeys exposed to photic stimulation. In both species I at 100-150 mg/kg induced spontaneous seizures which originated unilaterally in the occipital cortex and began with a horizontal nystagmus. When the occipital discharges no longer generalized, the animals had a normal electroencephalogram. A 4:1 excess of pyridoxine [65-23-6] in baboons blocked the increase in photically-induced responses and drug-induced seizures. Bicuculline (II) [485-49-4] administered i.v. at 0.1-0.4 mg/kg induced generalized seizures in both species, and at 0.3-0.6 mg/kg induced prolonged (150-300 min) seizures characterized by sustained myoclonic activity and relative absence of episodes of postictal silence in baboons. At 0.1-0.3 mg/kg II sometimes caused a brief myoclonic jerk associated with frontorolandic spikes and waves. There seem to be 2 inhibitory systems which differ in their pharmacol. responsiveness but both probably involve γ-aminobutyric acid [56-12-2] as the neurotransmitter. One system seems to be intracortical and its functional failure causes occipital discharges and spontaneous seizures after administration of the pyridoxine antagonists. The other is probably a collateral inhibitory system within the pathways afferent to the somatomotor cortex.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Formula: C5H6O2. 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-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Characterization of key aroma-active compounds in four commercial oyster sauce by SGC/GC x GC-O-MS, AEDA, and OAV. Author is Yu, Mingguang; Li, Ting; Song, Huanlu.

Oyster sauce (OS) is a common seasoning in Asian countries. Here, four types of OS with different components and ingredients were characterized by the switchable GC/GC x GC-olfactometry-mass spectrometry (SGC/GC x GC-O-MS) and sensory evaluation. A total of 27 key aroma-active compounds were screened by FD factor and OAVs in OS. Of them, pyrazines were predominated, 2,5-dimethyl-3-ethylpyrazine had the highest OAV and FD factor. Sensory evaluation showed that the overall flavor profile of OS is primarily composed of nutty/roast, caramel/sweet, cooked potato-like, fruity, burnt, and unpleasant notes such as rancid, mushroom-like, and fishy. Moreover, soy sauce exhibited a great impact on OS aroma. The principal component anal. (PCA) results based on the OAV values of key aroma-active compounds were consistent with the sensory evaluation results, suggesting that PCA based on the above method could accurately cluster and distinguish the samples with different aroma profiles. The odor notes of burnt, fruity and caramel-like/sweet contributed to WDM and JC clustering. Similarly, roast/nutty, cooked potato-like, and unpleasant odor notes contributed to clustering of LKK and HT.

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Pyrimidine | C4H4N2 – PubChem,
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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.Deng, Ting; Tuo, Suxing; Yang, Huawu; Du, Wen; Chen, Bo; Yin, Xinqiang; Huang, Ping; Deng, Changjian; Gong, Shuguo; Lu, Hongmei; Tan, Xinliang; Zhong, Kejun researched the compound: 5-Methylfuran-2(3H)-one( cas:591-12-8 ).Recommanded Product: 591-12-8.They published the article 《Online analysis of aerosol components of heated tobacco products by GC-MS》 about this compound( cas:591-12-8 ) in Yancao Keji. Keywords: aerosol heated tobacco product GC MS. We’ll tell you more about this compound (cas:591-12-8).

In order to study the chem. composition of aerosols from heated tobacco products (HTPs) and to investigate the puff-by-puff release characteristics of aerosols from HTP samples, an online sampling device for HTP aerosols was developed by adopting a valve injection technique. Using this technique, HTP aerosols were directly introduced into gas chromatog.-mass spectrometry (GC-MS) by carrier gas (helium) through an inline heating transmission line without sample loss. The results showed that the online HTP aerosol anal. system had a stable performance and good reproducibility. The contents of acetone and 2-butanone determined in the aerosols of sample A by this method was in good accordance with the results reported by literature. With the proceeding of puffing, the releases of acetone and 2-butanone from the aerosols of sample B increased first and then decreased. This method is simple, efficient and suitable for the online anal. of the whole aerosols of HTPs and the puff-by-puff release characteristics of HTP aerosols.

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Pyrimidine | C4H4N2 – PubChem,
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Formula: C5H6O2. 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 Access to chiral γ-butenolides via palladium-catalyzed asymmetric allylic C-H alkylation of 1,4-dienes.

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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Pyrimidine | C4H4N2 – PubChem,
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Quality Control 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 Synthesis of Chiral γ,γ-Disubstituted γ-Butenolides via Direct Vinylogous Aldol Reaction of Substituted Furanone Derivatives with Aldehydes. Author is Sakai, Takaaki; Hirashima, Shin-ichi; Matsushima, Yasuyuki; Nakano, Tatsuki; Ishii, Daiki; Yamashita, Yoshifumi; Nakashima, Kosuke; Koseki, Yuji; Miura, Tsuyoshi.

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.

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Pyrimidine | C4H4N2 – PubChem,
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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Mechanism study on asymmetric Michael addition reaction between alkynone and α-angelica lactone catalyzed by chiral N, N’-dioxide-Sc(III) complex, published in 2020-09-15, which mentions a compound: 591-12-8, mainly applied to butenolide alkynone scandium catalyst Michael addition mechanism bond order, Recommanded Product: 5-Methylfuran-2(3H)-one.

The reaction mechanism and enantioselectivity of asym. Michael addition reaction between alkynone (R1) with α-angelica lactone (R2) catalyzed by chiral N, N’-dioxide-Sc(III) complex were investigated at the M06/6-31G(d,p) (acetonitrile, SMD) level. The α-angelica lactone substrate could isomerize to the active enolized form in the presence of Sc(OTf)3 reagent, assisted by the counter trifluoromethanesulfonate anion OTf-. The alkynone substrate and enolized angelica lactone (or its anion) coordinated to Sc(III) center of N,N’-dioxide-Sc(III) complex catalyst simultaneously, forming a high active hexacoordinate-Sc(III) complex. The catalytic reaction occurred via a two-step mechanism, in which C2-Cγ bond formation was predicted to be the chirality-controlling step as well as the rate-determining step, affording predominant S-enantiomer. The counterion OTf- facilitated C-H construction as a proton-shuttle, producing mainly E-configuration product observed in experiment The steric repulsion from the ortho-substituent of amide moiety as well as the chiral backbone of N, N’-dioxide-Sc(III) catalyst played the key role for chiral induction in the asym. reaction. The less destabilizing Pauli repulsion and more stabilizing attractive interaction, especially the orbital interaction, along the si-face attack pathway enhanced the enantiodifference of the two competing pathways for high enantioselectivity. The energy barriers for E/Z isomerization of S or R-enantiomer assisted by HOTf was as high as 34.6-35.0 kcal mol-1, indicating that the product with Z-conformation was difficult to be obtained. These results were in good agreement with exptl. observations.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia