Month: April 2022

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 4-Methyl-6-(methylthio)pyrimidin-2-ol(SMILESS: CSC1=NC(O)=NC(C)=C1,cas:16710-11-5) is researched.Quality Control of 5-Iodo-2-furaldehyde. The article 《4-arylamino-2-(2-acetoxyethyl)amino-6-methylpyrimidines: Synthesis, deacetylation, and biological activity》 in relation to this compound, is published in Russian Journal of General Chemistry. Let’s take a look at the latest research on this compound (cas:16710-11-5).

The reaction of 2-(2-acetoxyethyl)amino-4-chloro-6-methylpyrimidine with aromatic amines leads to a series of 4-arylamino-2-(2-acetoxyethyl)amino-6-methylpyrimidines. Deacetylation of these compounds proceeds in both acidic and basic media. Most of the (arylamino)pyrimidines obtained exhibit a pronounced antituberculous effect.

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Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

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, Chemical Communications (Cambridge, United Kingdom) called Direct synthesis of ester-containing indium homoenolate and its application in palladium-catalyzed cross-coupling with aryl halide, Author is Shen, Zhi-Liang; Goh, Kelvin Kau Kiat; Wong, Colin Hong An; Yang, Yong-Sheng; Lai, Yin-Chang; Cheong, Hao-Lun; Loh, Teck-Peng, which mentions a compound: 2689-65-8, SMILESS is IC1=CC=C(O1)C=O, Molecular C5H3IO2, Quality Control of 5-Iodo-2-furaldehyde.

An efficient method for the synthesis of ester-containing indium homoenolate via a direct insertion of indium into β-halo ester in the presence of CuI/LiCl is described. The synthetic utility of the indium homoenolate was demonstrated by palladium-catalyzed cross-coupling with aryl halides in DMA with wide functional group compatibility.

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Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

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: 2689-65-8, is researched, SMILESS is IC1=CC=C(O1)C=O, Molecular C5H3IO2Journal, Article, Organic Letters called Copper-Mediated Fluoroalkylation of Aryl Iodides Enables Facile Access to Diverse Fluorinated Compounds: The Important Role of the (2-Pyridyl)sulfonyl Group, Author is Zhao, Yanchuan; Gao, Bing; Ni, Chuanfa; Hu, Jinbo, the main research direction is fluoroiodomethyl pyridyl sulfone aryl iodide copper fluoroalkylation catalyst; arylfluoromethyl pyridyl sulfone preparation.Related Products of 2689-65-8.

The (2-pyridyl)sulfonyl group was found to be a multifunctional group in the preparation of structurally diverse fluorinated products. It not only facilitates the copper-mediated (or catalyzed) cross-coupling reaction between α-fluoro sulfone and aryl iodides, but also enables further transformations of the coupling products.

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Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

Recommanded Product: 2689-65-8. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Iodo-2-furaldehyde, is researched, Molecular C5H3IO2, CAS is 2689-65-8, about Study of the nucleophilic substitution of halogens in furan compounds. (I). Furfurals. Author is Mocelo, R.; Pustovarov, V..

5-Bromofurfural (I, R = Br) was prepared by treating I (R = H) in dichloroethane with Br in the presence of hydroquinone. Reaction of I (R = Br) with LiCl in DMF gave 74% I (R = Cl) and with KI-HOAc gave 80% I (R = I). I (R = I) was similarly obtained in 44% yield from I (R = Cl). I (R = Cl) could also be converted to I (R = Br) with KBr-HOAc.

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Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

Name: 5-Iodo-2-furaldehyde. 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-Iodo-2-furaldehyde, is researched, Molecular C5H3IO2, CAS is 2689-65-8, about Chemical shift in NMR and conformation of some furfural derivatives. Author is Gra Rios, Rafael.

The NMR spectra of a series of 5-substituted furfurals (where the substituent is MeO,Me,Br,I,COOMe,CHO or NO2) were measured in 1% CCl4 solutions The influence of the substituent upon the relation of the cis-trans rotational isomers was studied by means of the correlation between the chem. shifts of the substituted furfurals (referred to furfural) and the resp. shifts of the 5-mono substituted furans (referred to furan). For the H atom in the 4 position, an excellent agreement was found between the substituted furfural and the substituted furan series, whereas for the H atom in the 3 position, there is a noticeable deviation for the iodo compound This could be due to an alteration in the cis-trans isomerism in 5 iodofurfural as compared to furfural, which may be originated in the steric hindrance of I which favors the 0-0 trans isomer and therefore a higher shielding in the H atom in the 3 position.

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Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

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.Rasanu, Nicolae; Maior, Ovidiu researched the compound: 5-Iodo-2-furaldehyde( cas:2689-65-8 ).Application of 2689-65-8.They published the article 《Synthesis based on formylfuro(2,3-b) benzothiachromone》 about this compound( cas:2689-65-8 ) in Revue Roumaine de Chimie. Keywords: furobenzothiachromone. We’ll tell you more about this compound (cas:2689-65-8).

ο[(5-Formyl-2-furyl)thio]-benzoic acid, obtained from reaction of ο-mercaptobenzoic acid with 5-iodofurfural, cyclized (polyphosphoric acid) to give the furobenzothiachromone I (R = CHO), which when treated with HONH2 gave I (R = CH:NOH). The latter was converted (Ac2O) to the nitrile I (R = CN), hydrolysis (polyphosphoric acid) of which gave the expected amide I (R = CONH2).

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Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

Rostkowska, H.; Szczepaniak, K.; Nowak, M. J.; Leszczynski, J.; KuBulat, K.; Person, Willis B. published the article 《Thiouracils. 2. Tautomerism and infrared spectra of thiouracils. Matrix-isolation and ab initio studies》. Keywords: thiouracil tautomer IR; methylthiouracil isomer IR; MO ab initio thiouracil.They researched the compound: 4-Methyl-6-(methylthio)pyrimidin-2-ol( cas:16710-11-5 ).Safety of 4-Methyl-6-(methylthio)pyrimidin-2-ol. 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:16710-11-5) here.

A study of the IR spectra of thiouracils isolated in low-temperature inert matrixes demonstrated that 2- and 4-thiouracils together with their N1- and N3-methylated derivatives as well as 2,4-dithiouracil exist under these conditions only in the oxothione or dithione tautomeric forms. In contrast, S2- and S4-methylated derivatives exist as a mixture of hydroxy and oxo tautomeric forms under the same conditions. The ratio of concentrations of the oxo and hydroxy tautomers and the free energy differences, were exptl. estimated, from the ratio of the absorbances of the NH and OH stretches. An assignment of the observed IR bands, particularly those related to the C:S stretching vibrations, is proposed on the basis of the comparison of the matrix spectra with those calculated by using ab initio methods (3-21G* basis set).

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Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

SDS of cas: 2689-65-8. 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-Iodo-2-furaldehyde, is researched, Molecular C5H3IO2, CAS is 2689-65-8, about Topoisomerase IIα poisoning and DNA double-strand breaking by chiral ruthenium(II) complexes containing 2-furanyl-imidazo[4,5-f][1,10]phenanthroline derivatives.

Four chiral Ru(II) complexes bearing furan ligands, Δ/Λ-[Ru(bpy)2(pocl)]2+ (Δ/Λ-1) and Δ/Λ-[Ru(bpy)2(poi)]2+ (Δ/Λ-2) (bpy = 2,2′-bipyridine, pocl = 2-(5-chlorofuran-2-yl)imidazo[4,5-f][1,10]phenanthroline, poi = 2-(5-5-iodofuran-2-yl)imidazo[4,5-f][1,10]phenanthroline), were synthesized and characterized. These Ru(II) complexes showed antitumor activities against HeLa, A549, HepG2, HL-60 and K562 tumor cell lines, especially the HL-60 tumor cell line. Moreover, Δ-2 was more active than other complexes accounting for the different cellular uptakes. In addition, Δ-2 could accumulate in the nucleus of HL-60 cells, suggesting that nucleic acids were the cellular target of Δ-2. Topoisomerase inhibition tests in vitro and in living cells confirmed that the four complexes acted as efficient topoisomerase IIα poisons, DNA double-strand breaks had also been observed from neutral single cell gel electrophoresis (comet assay). Δ-2 inhibited the growth of HL-60 cells through the induction of apoptotic cell death, as evidenced by the Alexa Fluor 488 annexin V staining assays. The results demonstrated that Δ-2 acted as a topoisomerase IIα poison and caused DNA double-strand damage that could lead to apoptosis.

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Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Nitration of isoquinoline 2-oxide》. Authors are Ochiai, Eiji; Ikehara, Morio.The article about the compound:Isoquinolin-5-amine hydrochloridecas:152814-23-8,SMILESS:NC1=CC=CC2=C1C=CN=C2.[H]Cl).Category: naphthyridine. Through the article, more information about this compound (cas:152814-23-8) is conveyed.

Isoquinoline 2-oxide (I) (5 g.) in 20 g. concentrated H2SO4 and 5 g. KNO3, heated 3 hrs. at 60°, the mixture poured into ice water, made alk. with Na2CO3, and the product recrystallized from Me2CO give 4.5 g. 5-nitroisoquinoline 2-oxide (II), yellow needles, m. 220°. Chromatographic separation of the mother liquor in C6H6 gives 0.1 g. C9H6O3N2 (III), m. 179-80°. III (0.1 g.) in 10 ml. CHCl3 heated 10 min. at 50° with 1 ml. PCl3, let stand 3 hrs., the product poured into ice water, and the mixture made alk. with Na2CO3 and extracted with CHCl3 gives 0.1 g. C9H6O2N2 (IV), needles, m. 70°; catalytic reduction of 70 mg. IV in 10 ml. alc. with Pd-C (1 ml. 1% PdCl2 and 0.2 g. C) gives 70 mg. sirupy product (IVA), which, diazotized in 2 ml. 15% HCl at 0-2° with 20 mg. NaNO2 in 0.5 ml. water, and the solution poured into Cu2Cl2 (0.2 g. CuCl2, 1 ml. water, 0.5 ml. concentrated HCl, and 0.1 g. Zn), made alk. with Na2CO3, and extracted with Et2O, gives 8-chloroisoquinoline (V), needles, m. 55°; picrate, m. 190°. Catalytic reduction of 0.5 g. II in 40 ml. alc. with 0.2 g. Pd-C (60%), 10 ml. 10% HCl, and H gives 0.3 g. 5-aminoisoquinoline (VI), needles, m. 124-5°; picrate, m. 226-8°; VI.HCl, m. 270° (decomposition); VI acetate, m. 145-6°. The mother liquor from VI in C6H6 passed through Al2O3 gives a small amount of 5-amino-1,2,3,4-tetrahydroisoquinoline (VII), prisms, m. 150-1°; HCl salt, m. 308-9°, picrate, m. 205-6° (decomposition). VII (50 mg.) in 1 ml. Ac2O and a small amount of AcONa heated 2 hrs. at 100°, the Ac2O removed in vacuo, and the residue made alk. with Na2CO3 and extracted with Et2O gives 40 mg. 5-acetamido-2-acetyl-1,2,3,4-tetrahydroisoquinoline, needles, m. 155-6° (from C6H6). Catalytic reduction of 0.5 g. II in 40 ml. alc. with 0.2 g. Pd-C (60%) and H 70 min. gives 0.4 g. VI and 0.1 g. 5-aminoisoquinoline 2-oxide (VIII), needles, m. 225°. VIII (0.1 g.) in 10 ml. CHCl3 and 1 ml. PCl3 refluxed 30 min. on a water bath, and the mixture cooled, made alk. with Na2CO3, and extracted with CHCl3 gives 70 mg. VI. VI (0.2 g.) in 5 ml. 20% NaHSO3 heated 6 hrs. at 150° in a sealed tube, the product made alk. with NaOH, extracted with C6H6, the aqueous layer acidified with HCl, evaporated to dryness, the residue taken up with a small amount of water, the solution saturated with Na2CO3, and the precipitate recrystallized from alc. gives 0.1 g. 5-hydroxyisoquinoline, prisms, m. 230° (decomposition).

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Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

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, N.I.H., Extramural, Research Support, U.S. Gov’t, Non-P.H.S., Journal of the American Chemical Society called Uracil-Directed Ligand Tethering: An Efficient Strategy for Uracil DNA Glycosylase (UNG) Inhibitor Development, Author is Jiang, Yu Lin; Krosky, Daniel J.; Seiple, Lauren; Stivers, James T., which mentions a compound: 2689-65-8, SMILESS is IC1=CC=C(O1)C=O, Molecular C5H3IO2, Computed Properties of C5H3IO2.

Uracil DNA glycosylase (UNG) is an important DNA repair enzyme that recognizes and excises uracil bases in DNA using an extrahelical recognition mechanism. It is emerging as a desirable target for small-mol. inhibitors given its key role in a wide range of biol. processes including the generation of antibody diversity, DNA replication in a number of viruses, and the formation of DNA strand breaks during anticancer drug therapy. To accelerate the discovery of inhibitors of UNG we have developed a uracil-directed ligand tethering strategy. In this efficient approach, a uracil aldehyde ligand is tethered via alkyloxyamine linker chem. to a diverse array of aldehyde binding elements. Thus, the mechanism of extrahelical recognition of the uracil ligand is exploited to target the UNG active site, and alkyloxyamine linker tethering is used to randomly explore peripheral binding pockets. Since no compound purification is required, this approach rapidly identified the first small-mol. inhibitors of human UNG with micromolar to submicromolar binding affinities. In a surprising result, these uracil-based ligands are found not only to bind to the active site but also to bind to a second uncompetitive site. The weaker uncompetitive site suggests the existence of a transient binding site for uracil during the multistep extrahelical recognition mechanism. This very general inhibitor design strategy can be easily adapted to target other enzymes that recognize nucleobases, including other DNA repair enzymes that recognize other types of extrahelical DNA bases.

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Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem