Day: April 14, 2022

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Piperidin-4-amine dihydrochloride(SMILESS: NC1CCNCC1.[H]Cl.[H]Cl,cas:35621-01-3) is researched.Safety of 5-Methylfuran-2(3H)-one. The article 《Putrescine or spermidine binding site of aminopropyltransferases and competitive inhibitors》 in relation to this compound, is published in Biochemical Pharmacology. Let’s take a look at the latest research on this compound (cas:35621-01-3).

A model of the active site of aminopropyltransferases was proposed based on the study of a number of monoamino and diamino compounds as potential inhibitors and substrates, resp., of spermidine synthase purified from pig liver. The active site seems to have a relatively large hydrophobic cavity adjacent to a neg. charged site, to which a protonated amino group of putrescine binds, with another amino group of putrescine being situated in the hydrophobic cavity as a free form to be aminopropylated by decarboxylated S-adenosylmethionine. On the basis of the above-mentioned model, another modified one was proposed for spermine synthase, and several compounds designed according to the modified model were found to potently inhibit spermine synthase, purified from rat brain, in competition with spermidine. The newly developed inhibitors were about two orders of magnitude more potent in vitro than a known inhibitor of spermine synthase, dimethyl(5′-adenosyl)sulfonium perchlorate.

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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 Online analysis of aerosol components of heated tobacco products by GC-MS, the main research direction is aerosol heated tobacco product GC MS.Safety of 5-Methylfuran-2(3H)-one.

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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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, ACS Sustainable Chemistry & Engineering called Co-catalyzed Hydrogenation of Levulinic Acid to γ-Valerolactone under Atmospheric Pressure, Author is Liu, Zhenghui; Yang, Zhenzhen; Wang, Peng; Yu, Xiaoxiao; Wu, Yunyan; Wang, Huan; Liu, Zhimin, the main research direction is cobalt catalyzed hydrogenation levulinate gamma valerolactone atm pressure.Product Details of 591-12-8.

A cobalt-based catalytic system composed of Co(BF4)2·6H2O and ligand P(CH2CH2PPh2)3 was developed for hydrogenation of levulinic acid to γ-valerolactone (GVL), which showed high efficiency for this reaction, affording a GVL yield of 95% under atm. pressure and 100 °C. Co(BF4)2·6H2O combined with P(CH2CH2PPh2)3 is highly efficient for hydrogenation of levulinic acid to γ-valerolactone under atm. pressure.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Related Products of 591-12-8. 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 Lewis-Pair-Mediated Selective Dimerization and Polymerization of Lignocellulose-Based β-Angelica Lactone into Biofuel and Acrylic Bioplastic. Author is Wang, Xiao-Jun; Hong, Miao.

This contribution reports an unprecedentedly efficient dimerization and the first successful polymerization of lignocellulose-based β-angelica lactone (β-AL) by utilizing a selective Lewis pair (LP) catalytic system, thereby establishing a versatile bio-refinery platform wherein two products, including a dimer for high-quality gasoline-like biofuel (C8-C9 branched alkanes, yield=87%) and a heat- and solvent-resistant acrylic bioplastic (Mn up to 26.0 kg mol-1), can be synthesized from one feedstock by one catalytic system. The underlying reason for exquisite selectivity of the LP catalytic system toward dimerization and polymerization was explored mechanistically.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Application of 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 Antioxidant and antimicrobial study of Schefflera vinosa leaves crude extracts against rice pathogens.

Plant extracts are one of the best possible sources of bioactive mols., and are being used globally as an antioxidants and natural antimicrobial compounds In current study, Schefflera vinosa leaves extract was prepared through Soxhlet extraction procedure using methanol and chloroform as solvents. The extract was investigated for total antioxidant, phenolic and flavonoid contents, free radical scavenging and antimicrobial activities. The free radical scavenging activities were evaluated through 2,2- diphenyl-1-picrylhydrazyl (DPPH), 2,2-azino-bis-3-ethylbenzotiazolin-6-sulfonic acid (ABTS) and Ferric-reducing/ antioxidant power (FRAP) assay. The antimicrobial activity of extract was determined through poisoned food method. The methanolic extract has exhibited high antioxidant, phenolic, and flavonoid activities compared to chloroform extract Similarly, free radical scavenging activities (ABTS, DPPH and FRAP) were higher in methanolic extract Further, Fourier-Transform IR Spectroscopy (FTIR) used to determine the functional group and Gas chromatog.-mass spectrometry (GC-MS) to elucidate volatile composition of the crude extract Different functional group like N-H, O-H, C-O, C-N, C-H, C=O, C≃C and C-O-H presence indicate the existence of many metabolites in the extracts GC-MS study identified 61 compounds and subsequently, these mols. were screened virtually using DockThor. Furthermore, antimicrobial study was confirmed against rice pathogens like Magnaporthe oryzae (M. oryzae) and Xanthomonas oryzae pv. oryzae (Xoo). Mol. docking study further suggested that phytomols. (3-Isopropoxy-1,1,1,7,7,7-hexamethyl-3,5,5-tris (trimethylsiloxy) tetrasiloxane, and 2-Methoxy-5-methylthiophene) targets Histone Deacetylase (HDAC) of M. oryzae and Peptide Deformylase (PDF) of Xoo, which could inhibit their growth. Hence, this study indicated that Schefflera vinosa extracts could be an important ingredient as an antioxidant as well as antimicrobial agent against rice pathogens.

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Reference:
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 《The inhibition of growth of sarcoma 180 by combinations of vitamin B6 antagonists and acid hydrazides》. Authors are Brockman, R. Wallace; Thomson, J. Richard; Schabel, Frank M. Jr.; Skipper, Howard E..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).HPLC of Formula: 148-51-6. Through the article, more information about this compound (cas:148-51-6) is conveyed.

Deoxypyridoxine-HCl (I) and deoxypyridoxine phosphate (II) significantly restricted growth of sarcoma 180 in mice on a diet deficient in vitamin B6 (III), but not in mice on a complete diet. Many compounds of the acid hydrazide type also restricted growth of the sarcoma on a diet deficient in III, but none except 1,5-diaminobiuret at high dosage levels affected the tumor in mice on a complete diet. Combinations of II with acid hydrazides were more inhibitory to the tumor in mice on a complete diet than were combinations of I with acid hydrazides. The same combinations given to mice deficient in III resulted in severe restriction of tumor growth. Vitamins of the III group, i.e., pyridoxine-HCl, pyridoxamine-HCl, pyridoxal-HCl, and pyridoxal phosphate (IV), almost completely prevented the tumor-inhibiting effect of the combinations. Spectrophotometric studies demonstrated ability of the representative acid hydrazides to react with IV. The observed ability of acid hydrazides to enhance the inhibition of sarcoma 180 produced by III-deficiency and III-antagonists is attributed to formation of an inactive conjugate between the acid hydrazides and IV.

This literature about this compound(148-51-6)HPLC of Formula: 148-51-6has given us a lot of inspiration, and I hope that the research on this compound(5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride) can be further advanced. Maybe we can get more compounds in a similar way.

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-Methylfuran-2(3H)-one(SMILESS: O=C1OC(C)=CC1,cas:591-12-8) is researched.Related Products of 591-12-8. The article 《Mechanism study on asymmetric Michael addition reaction between alkynone and α-angelica lactone catalyzed by chiral N, N’-dioxide-Sc(III) complex》 in relation to this compound, is published in Catalysis Today. Let’s take a look at the latest research on this compound (cas:591-12-8).

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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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Related Products of 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 Mechanism research on catalytic pyrolysis of sulfated polysaccharide using ZSM-5 catalysts by Py-GC/MS and density functional theory studies.

The mechanisms of primary product formation on catalytic pyrolysis of seaweed sulfated polysaccharide with ZSM-5 were examined in detail by using Py-GC/MS anal. and subsequent d. functional theory. Results showed that furfurals were the main product (50.3%) in bio-oil during the catalytic pyrolysis of sulfated polysaccharides. Furfural (9.1%), 5-(Hydroxymethyl)-2(5 H)-furanone (3.1%) and acetone (3.2%) were defined as typical products of Glucuronic acid unit. 5-Me furfural (41.2%), 5-methyl-2(3 H)-Furanone (0.5%) and 5-Me furan (5.4%) can be converted from rhamnose unit. The subsequent d. functional theory calculation indicated that the catalytic pyrolysis of sulfated polysaccharides by ZSM-5 catalyst could boost the pyrolysis and upgrade the bio-oil quality since the promotion of hydrodeoxygenation on catalytic reactions and ZSM-5 could promote the formation of 5-Me furfural. The hydrogen bonding and van der Waals force interactions improved the pyrolysis pathways and decreased the energy barrier, which promoted the pyrolysis. This study confirmed that ZSM-5 had a catalytic influence on pyrolysis of sulfated polysaccharides through theor. and exptl. anal., which is helpful to understand the formation mechanism of seaweed catalytic pyrolysis products.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Product Details of 120099-61-8. 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: (S)-3-Methoxypyrrolidine, is researched, Molecular C5H11NO, CAS is 120099-61-8, about Identification of a New Series of Potent Adenosine A2A Receptor Antagonists Based on 4-Amino-5-carbonitrile Pyrimidine Template for the Treatment of Parkinson’s Disease. Author is Yang, Zhaohui; Li, Linlang; Zheng, Jiyue; Ma, Haikuo; Tian, Sheng; Li, Jiajun; Zhang, Hongjian; Zhen, Xuechu; Zhang, Xiaohu.

Adenosine receptor A2A antagonists have emerged as potential treatment for Parkinson’s disease in the past decade. The authors have recently reported a series of adenosine receptor antagonists using heterocycles as bioisosteres for a potentially unstable acetamide. These compounds, while showing excellent potency and ligand efficiency, suffered from moderate cytochrome P 450 inhibition and high clearance. Here the authors report a new series of adenosine receptor A2A antagonists based on a 4-amino-5-carbonitrile pyrimidine template. Compounds from this new template exhibit excellent potency and ligand efficiency with low cytochrome P 450 inhibition. Although the clearance remains moderate to high, the leading compound, when dosed orally as low as 3 mg/kg, demonstrated excellent efficacy in the haloperidol induced catalepsy rat model for Parkinson’s disease.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Category: pyrimidines. 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 5-(Chloromethyl)furfural (CMF): A Platform for Transforming Cellulose into Commercial Products. Author is Mascal, Mark.

5-(Chloromethyl)furfural (CMF) is a carbohydrate-derived platform mol. that is gaining traction as a more practical alternative to 5-(hydroxymethyl)furfural (HMF). This perspective introduces the chemocatalytic approach to biorefining as the driving force behind the development of multifunctional chem. platforms. The main advantage of CMF over HMF is that it can be produced in high yield under mild conditions directly from raw biomass. Its stability and hydrophobicity markedly facilitate isolation. CMF is also a precursor to levulinic acid (LA), another versatile biobased intermediate. The logistics of CMF production are discussed, including reactor materials, HCl handling and management, byproducts, and the fate of collateral biomass components (hemicellulose, lipids, proteins, lignin). Examples of com. markets that can be unlocked by synthetic manipulation of CMF are broken out into two derivative manifolds, furanic and levulinic, which are distributed over three product family trees: renewable monomers, fuels, and specialty chems. Selected examples of CMF- and LA-based routes to these products are presented. Finally, a model for the integration of the CMF process into biorefinery practice is put forward.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia