Month: April 2022

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 Well-defined palladium(II) complexes for ligand-enabled C(sp3)-alkynylation, published in 2015, which mentions a compound: 18436-73-2, mainly applied to palladium catalyst alkynylation methylquinoline; quinoline methyl alkynylation palladium catalyst, Safety of 4-Chloro-8-methylquinoline.

The first example of ligand-enabled C(sp3)-alkynylation of 8-methylquinoline is reported. The reaction is catalyzed by well-defined Pd(II) complexes. The present C(sp3)-alkynylation has a broad substrate scope as well as functional group tolerance and proceeds efficiently under mild conditions.

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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, Research Support, Non-U.S. Gov’t, Organic & Biomolecular Chemistry called Thiosquaramide-catalysed asymmetric double Michael addition of 2-(3H)-furanones to nitroolefines, Author is Yang, Mengchen; Chen, Chen; Yi, Xing; Li, Yuan; Wu, Xiaoqin; Li, Qingshan; Ban, Shurong, which mentions a compound: 591-12-8, SMILESS is O=C1OC(C)=CC1, Molecular C5H6O2, HPLC of Formula: 591-12-8.

New chiral thiosquaramides and their applications in catalytic asym. double addition of 5-methyl-2(3H)-furanones to nitroolefins were described. Enantiomerically enriched 2,4,4-trisubstituted butenolides bearing a quaternary stereogenic center could be smoothly constructed with high diastereoselectivities (up to >99 : 1 dr) and excellent enantioselectivities (up to 95% ee) under mild conditions.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

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 Attempted synthesis of polypeptides by condensation of amino acid and peptide esters I, published in 1954, which mentions a compound: 65090-78-0, mainly applied to , Name: 2-Bromo-3-methoxypropanoic acid.

Methods are given for fractionation of the amino acid, peptides, and their Me esters in the cases of glycine (I), alanine (II), and serine (III). After several months at room temperature, either dry or in various solvents, I Me ester gave mainly tetraglycine Me ester (IV) and I anhydride (V), as well as some pentaglycine Me ester and hexaglycine Me ester. In H2O, MeOH, or EtOH the product was mostly V. Condensation of II Me ester, either dry or in MeOH, gave mainly II anhydride. In H2O hydrolysis to II occurred. III Me ester (VI), dry or in various solvents at 20°, gave after several weeks mainly III anhydride (VII), with some III and unchanged VI. Vacuum distillation of VI gave VII, III, MeOH, NH3, H2O, II, and traces of III peptides. VI was kept in vacuo at 20°, warmed 1 h. to 75°, refluxed 10 h., or kept at 20° in pyridine or HOAc. In each case the major product was VII, and III, VI, and some III peptides were present. IV kept at various temperatures, dry or in H2O or MeOH, was either unchanged, hydrolyzed, or converted largely to unidentified products.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Product Details of 35621-01-3. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Piperidin-4-amine dihydrochloride, is researched, Molecular C5H14Cl2N2, CAS is 35621-01-3, about Palladium-mediated N-arylation of heterocyclic diamines: insights into the origin of an unusual chemoselectivity. Author is Cabello-Sanchez, Noemi; Jean, Ludovic; Maddaluno, Jacques; Lasne, Marie-Claire; Rouden, Jacques.

The chemoselectivity of the palladium-mediated reaction of bromobenzene with various heterocyclic diamines was studied. Whatever the ligand used, 3-aminopyrrolidine underwent arylation of the secondary amine function (>82%), whereas the more flexible 3-aminoazepine was arylated on its primary function (>70%). The ratio “”arylation of primary amine vs. arylation of secondary amine”” of 3-aminopiperidine with bromobenzene varied from 90:10 (BINAP, electron-enriched and hindered biphenyls L2 or L3) to 32:68 with the Josiphos-type ligand L10. The same trend was observed when 4-aminopiperidine was used (82:18 with L2 and 17:83 with L10). This selectivity can be tuned by the choice of aryl halide partners having different steric and electronic properties. A cooperative effect of both nitrogens of diamines during the reaction was deduced from competitive experiments Finally, 13C and 31P NMR experiments, carried out with 3-aminopyrrolidine at room temperature, support a fast coordination of the primary amine to the metal. Indeed, a palladium complex resulting from the unusual displacement of one phosphine group of the intermediate ArPdX(BINAP) by the primary amino group was characterized.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-Chloro-4-iodopyridin-2-amine, is researched, Molecular C5H4ClIN2, CAS is 1260667-65-9, about From Milligram to Kilogram Manufacture of AZD4573: Making It Possible by Application of Enzyme-, Iridium-, and Palladium-Catalyzed Key Transformations.COA of Formula: C5H4ClIN2.

With the first generation medicinal chem. synthesis as a starting point, herein process development of AZD4573, an oncol. drug candidate was described. In addition to improved yields and removal of chromatog. steps, other factors such as availability of starting materials as well as safety of the chem. involved were addressed. With several steps involving volatile, reactive, and non-UV active materials, reaction optimization was facilitated by implementing off-line 1H NMR anal. of crude mixtures Key transformations targeted for process development included a Wolff-Kishner reduction, an iridium-catalyzed borylation, and enzymic resolution of a racemic amino-ester.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

COA of Formula: C5H6O2. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. 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. Author is Jiang, Ding; Xia, Zhen; Wang, Shuang; Li, Hongping; Gong, Xun; Yuan, Chuan; El-Fatah Abomohra, Abd; Cao, Bin; Hu, Xun; He, Zhixia; Wang, Qian.

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

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, Tianyu; Yan, Long; Li, Xinglong; Fu, Yao researched the compound: 5-Methylfuran-2(3H)-one( cas:591-12-8 ).Recommanded Product: 591-12-8.They published the article 《Continuous Hydrogenation of Ethyl Levulinate to 1,4-Pentanediol over 2.8Cu-3.5Fe/SBA-15 Catalyst at Low Loading: The Effect of Fe Doping》 about this compound( cas:591-12-8 ) in ChemSusChem. Keywords: hydrogenation ethyl levulinate pentanediol catalyst iron doping; copper; doping; heterogeneous catalysis; hydrogenation; iron. We’ll tell you more about this compound (cas:591-12-8).

Bimetallic Cu-Fe catalysts with low loading were prepared for hydrogenation of Et levulinate (EL) to 1,4-pentanediol (1,4-PDO). Among them, 2.8Cu-3.5Fe/SBA-15 (Cu/Fe molar ratio of 1:1.5) performed best, capable of converting EL to the key intermediate γ-valerolactone (GVL) at 140 °C with 97 % yield. It can also be used to hydrogenate GVL to 1,4-PDO with 92.6 % selectivity or convert EL to 1,4-PDO in one pot. The high activity of the catalyst at such a low loading was attributed to the highly dispersed metal species and the Fe doping effect. Various characterization methods indicated that Fe acted as both structural and electronic modifier to promote the chem. properties of the Cu species. Besides, the incorporation of Fe provided abundant Lewis acid sites and accelerated the reaction process. CuFeO2 was detected by energy-dispersive X-ray spectroscopy, XPS, and XRD. On the basis of a combination of characterization and reaction kinetics, synergistic catalysis by Cu0 and CuFeO2 is considered to be responsible for the excellent performance of the Cu-Fe catalysts.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Yamashita, Junko; Hirata, Yukio published the article 《Running fits and γ-aminobutyric acid of the superior colliculus of the mouse》. Keywords: GABA brain running fit; convulsion GABA brain; vitamin B6 antagonist GABA.They researched the compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride( cas:148-51-6 ).Computed Properties of C8H12ClNO2. 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:148-51-6) here.

The γ-aminobutyric acid content of the superior colliculus of the mouse brain was decreased following the induction of running fits by the intracollicular injection of the antivitamin B6 compound semicarbazide. Aminooxyacetic acid hemihydrochloride, an inhibitor of 4-aminobutyrate-2-oxoglutarate aminotransferase (EC 2.6.1.19) with a resultant increase in GABA levels, has been shown to exert an antidotal effect on the induction of running fits. Therefore, this type of convulsive behavior is apparently associated with diminished levels of GABA in the superior colliculus. Running fits were also induced by the antivitamin B6 compounds thiosemicarbazide and 4-deoxypyridoxine-HCl, and presumedly this was also the result of a decrease in GABA level.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Safety of 5-Methylfuran-2(3H)-one. 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 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.

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

Recommanded Product: 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.

There is still a lot of research devoted to this compound(SMILES：O=C1OC(C)=CC1)Recommanded Product: 5-Methylfuran-2(3H)-one, and with the development of science, more effects of this compound(591-12-8) can be discovered.

Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia