Tag: M.W:100-200

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: 1194-22-5, is researched, SMILESS is CC1=NC(=CC(N1)=O)O, Molecular C5H6N2O2Journal, Journal of Physical Chemistry called Reactions of oxidizing radicals with 4,6-dihydroxypyrimidines as model compounds for uracil, thymine, and cytosine, Author is Novais, H. M.; Steenken, S., the main research direction is radical oxidizing reaction pyrimidinediol.Recommanded Product: 6-Hydroxy-2-methylpyrimidin-4(3H)-one.

The reactions of the oxidizing radicals OH, O-, SO4-, and Br2- with 4,6-dihydroxypyrimidine (4,6-DHP) and with 2- and 5-methyl-4,6-DHP were examined by using in situ radiolysis and photolysis ESR and pulse radiolysis techniques. At pH 1-6 the OH radical reacts with these compounds [k = (4-7) × 109 M-1 s-1] selectively by addition at C-5 to produce radicals characterized by two pairs of magnetically equivalent nitrogens and exchangeable protons. On the basis of the coupling constants and from the increased pKa value (8.3) of the radical from 4,6-DHP relative to that (5.3) of the parent compound, a diketo-type structure is suggested for the OH adducts. At pH 8-12 a base-catalyzed dehydration of the radical anions takes place which leads to species formally derived from the ionized parent compound by one-electron oxidation, followed by deprotonation. These radicals can also be produced by reaction with SO4- or Br2-. Those from 4,6-DHP and from 2-Me-4,6-DHP were seen in two different protonation states: as a neutral radical between pH 3 and 5, and as the radical anion above pH ≈ 5. Me groups on the 4,6-DHP mol. increase the rate of dehydration of the OH adducts. The O- radical reacts with the methylated 4,6-DHP’s by H abstraction from the Me groups. The structures of all the radicals from the 4,6-DHP’s are compared with those form naturally occurring dioxopyrimidines such as the uracils.

Although many compounds look similar to this compound(1194-22-5)Recommanded Product: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, numerous studies have shown that this compound(SMILES:CC1=NC(=CC(N1)=O)O), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Green synthesis of pyrido[2,1-a]isoquinolines and pyrido[1,2-a]quinolines using Fe3O4-MNPs as efficient nanocatalyst: Study of antioxidant activity, published in 2020, which mentions a compound: 70-23-5, Name is Ethyl 3-bromo-2-oxopropanoate, Molecular C5H7BrO3, Category: oxazolidine.

In this work, synthesis of pyrido[2,1-a]isoquinolines I (R = COOEt, 4-MeOC6H4, 4-MeC6H4, 4-BrC6H4, 4-O2NC6H4) and pyrido[1,2-a]quinolines II (R1 = COOEt, 4-MeOC6H4, 4-MeC6H4) in excellent yields using multicomponent reaction of phthalaldehyde, Me amine, Me malonyl chloride, alkyl bromides, and triphenylphosphine in the presence of catalytic amount of Fe3O4-MNPs and aqueous sodium hydroxide at 80° was investigated. The reduction of ferric chloride solution with Clover Leaf water extract was used for the synthesis of magnetic iron oxide nanoparticles (Fe3O4-MNPs) as a green method. As well, antioxidant activity was studied for the some newly synthesized compounds such as I (R = COOEt, 4-MeC6H4), II (R1 = 4-MeOC6H4, 4-MeC6H4) using the DPPH radical trapping, reducing of ferric ion experiments and comparing results with synthetic antioxidants (TBHQ and BHT). From the results, the above compounds showed good DPPH radical trapping and excellent reducing strength of ferric ion.

Although many compounds look similar to this compound(70-23-5)Category: oxazolidine, numerous studies have shown that this compound(SMILES:O=C(OCC)C(CBr)=O), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – 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, RSC Advances called The design, synthesis, and in vitro trypanocidal and leishmanicidal activities of 1,3-thiazole and 4-thiazolidinone ester derivatives, Author is Haroon, Muhammad; de Barros Dias, Mabilly Cox Holanda; Santos, Aline Caroline da Silva; Pereira, Valeria Rego Alves; Barros Freitas, Luiz Alberto; Balbinot, Rodolfo Bento; Kaplum, Vanessa; Nakamura, Celso Vataru; Alves, Luiz Carlos; Brayner, Fabio Andre; Leite, Ana Cristina Lima; Akhtar, Tashfeen, which mentions a compound: 70-23-5, SMILESS is O=C(OCC)C(CBr)=O, Molecular C5H7BrO3, Recommanded Product: Ethyl 3-bromo-2-oxopropanoate.

Given this, novel 1,3-thiazoles I (Ar = Ph, 3-chlorophenyl, furan-2-yl, etc.; R = H, Me) and 4-thiazolidinones II (R1 = (phenylmethylidene)aminyl, [(4-hydroxy-3-methoxyphenyl)methylidene]aminyl, 1,2,3,4-tetrahydronaphthalen-1-iminyl, etc.; R2 = Me, Et) using bioisosteric and esterification strategies to develop improved and safer drug candidates were synthesized. Then, in vitro assays were performed, against Leishmania infantum and Leishmania amazonensis promastigotes, Trypanosoma cruzi trypomastigotes and amastigotes, for selected compounds I and II to determine IC50 and SI, with cytotoxicity on LLC-MK2 cell lines. Overall, 1,3-thiazoles I exhibited better trypanocidal activity than 4-thiazolidinones II. The compound I[Ar = 2-bromophenyl, R = H] (III), an ortho-bromobenzylidene-substituted 1,3-thiazole (IC50 = 0.83μM), is the most potent of them all. In addition, compounds I and II had negligible cytotoxicity in mammalian cells (CC50 values > 50μM). Also noteworthy is the examination of the cell death mechanism of T. cruzi, which showed that compound III induced necrosis and apoptosis in the parasite. SEM anal. demonstrated that the treatment of Trypanosoma cruzi trypomastigote cells with the compound III at different IC50 concentrations promoted alterations in the shape, flagella and body surface, inducing parasite death. Together, the data revealed a novel series of 1,3-thiazole structure-based compounds I with promising activity against Trypanosoma cruzi and Leishmania spp., broadening ways for scaffold optimization.

Although many compounds look similar to this compound(70-23-5)Recommanded Product: Ethyl 3-bromo-2-oxopropanoate, numerous studies have shown that this compound(SMILES:O=C(OCC)C(CBr)=O), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Synthetic Route of C5H6N2O2. 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: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Effect of 4,6-dihydroxypyrimidine and 2-methyl-4,6-dihydroxypyrimidine on the development of pulmonary adenomas in mice. Author is Labkovskii, B. M..

4,6-Dihydroxypyrimidine (50 mg./kg.) administered s.c. into mice simultaneously or daily for 1 week following injection of urethane (1 g./kg.) stimulated the formation of adenomas on the lung surfaces. These morphological changes were first observed 1-1.5 months after administration of the carcinogen. 2-Methyl-4,6-dihydroxypyrimidine did not have the ability to stimulate urethane-induced blastomogenesis under similar conditions.

Although many compounds look similar to this compound(1194-22-5)Synthetic Route of C5H6N2O2, numerous studies have shown that this compound(SMILES:CC1=NC(=CC(N1)=O)O), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 5451-40-1, is researched, Molecular C5H2Cl2N4, about Promising 2,6,9-trisubstituted purine derivatives for anticancer compounds: synthesis, 3D-QSAR, and preliminary biological assays, the main research direction is trisubstituted purine regioselective preparation SAR QSAR antitumor apoptosis human; 3D-QSAR; apoptosis; cancer; cell cycle; cytotoxicity; purine derivatives.Reference of 2,6-Dichloropurine.

Two series of 2,6,9-trisubstituted purine derivatives I [R1 = Et, n-Bu, n-hexyl, etc.; R2 = cyclopentyl, cyclohexyl, cycloheptanyl, etc.] and II [R3 = 4-CF3OC6H4, 4-phenyl-piperidin-1-yl, 4-phenyl-piperazin-1-yl, 4-(4-chlorophenyl)piperazin-1-yl, etc.; R4 = Cl, 5-(nitropyridin-2-yl)piperazin-1-yl, 4-(pyrazin-2-yl)piperazin-1-yl, etc.; R5 = n-pentyl, n-hexyl, cyclopentyl] were synthesized and evaluated for their prospective role as antitumor compounds Compounds I and II were tested for their in vitro cell toxicity on seven cancer cells lines and one non-neoplastic cell line. Structural requirements for antitumor activity on two different cancer cell lines were analyzed with SAR and 3D-QSAR. The 3D-QSAR models showed that steric properties could better explain the cytotoxicity of compounds than electronic properties (70% and 30% of contribution, resp.). From this anal., conclusion was that arylpiperazinyl system connected at position 6 of the purine ring was beneficial for cytotoxic activity, while the use of bulky systems at position C-2 of the purine was not favorable. Compound II [R3 = 4-(4-nitrophenyl)piperazin-1-yl; R4 = Cl; R5 = cyclopentyl] was found to be an effective potential agent when compared with a currently marketed drug, cisplatin, in four out of the seven cancer cell lines tested. Compound II [R3 = 4-(4-nitrophenyl)piperazin-1-yl; R4 = Cl; R5 = cyclopentyl] showed the highest potency, unprecedented selectivity and complied with all the Lipinski rules. Finally, it was demonstrated that compound II [R3 = 4-(4-nitrophenyl)piperazin-1-yl; R4 = Cl; R5 = cyclopentyl] induced apoptosis and caused cell cycle arrest at the S-phase on HL-60 cells.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Soleimani-Amiri, Somayeh; Shafaei, Faezeh; Varasteh Moradi, Ali; Gholami-Orimi, Fathali; Rostami, Zohreh published the article 《A Novel Synthesis and Antioxidant Evaluation of Functionalized [1,3]-Oxazoles Using Fe3O4-Magnetic Nanoparticles》. Keywords: cyclopenta oxazole thione green preparation radical trapping ferric reduction; oxazole thione preparation bromo ketone isothiocyanate cyclization; magnetic iron oxide nanoparticle catalyst preparation.They researched the compound: Ethyl 3-bromo-2-oxopropanoate( cas:70-23-5 ).Synthetic Route of C5H7BrO3. 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:70-23-5) here.

In this research, green procedure was employed for biosynthesis of magnetic nanoparticles of iron oxide (Fe3O4-MNPs) by reduction of ferric chloride solution with Orange peel water extract Also, dihydro-2H-cyclopenta[d][1,3]oxazoles I (R = CO2Et, 4-MeOC6H4, 4-MeC6H4, 4-BrC6H4; R1 = t-Bu, 4-MeOC6H4, 4-O2NC6H4; R2 = Me, Et; R3 = CO2Et, 4-MeOC6H4, 4-MeC6H4) were generated through multi-component reaction of 1,3-oxazole-2(3H)-thione, dialkyl acetylenedicarboxylates, α-haloketones, and Fe3O4-MNPs as catalyst at ambient temperature in good yield. Initially, 1,3-oxazole-2(3H)-thione derivatives as one of the precursors are produced through the reaction of alkyl bromides, isothiocyanate, sodium hydride, and Fe3O4-MNPs as catalyst water at ambient temperature in 83-95% yields. Also, diphenyl-picrylhydrazine radical trapping and ferric reduction activity potential assays are used for evaluation of antioxidant activity of some synthesized compounds Among investigated compounds, I (R = CO2Et; R1 = 4-O2NC6H4; R2 = Me; R3 = 4-MeOC6H4) has good power for radical trapping activity and I (R = 4-MeOC6H4; R1 = t-Bu; R2 = Me; R3 = 4-MeC6H4) has good reduction power to butylated hydroxytoluene and 2-tert-butylhydroquinone.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – 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, Organic Process Research & Development called The development of a commercial manufacturing route to 2-fluoroadenine, the key unnatural nucleobase of islatravir, Author is Hong, Cynthia M.; Xu, Yingju; Chung, John Y. L.; Schultz, Danielle M.; Weisel, Mark; Varsolona, Richard J.; Zhong, Yong-Li; Purohit, Akasha K.; He, Cyndi Q.; Gauthier, Donald R. Jr.; Humphrey, Guy R.; Maloney, Kevin M.; Levesque, Francois; Wang, Zhixun; Whittaker, Aaron M.; Sirota, Eric; McMullen, Jonathan P., which mentions a compound: 5451-40-1, SMILESS is C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2, Molecular C5H2Cl2N4, Application In Synthesis of 2,6-Dichloropurine.

Synthesis of a key fragment of islatravir (MK-8591), a novel nucleoside reverse transcriptase translocation inhibitor (NRTTI) currently under investigation for treatment and pre-exposure prophylaxis (PrEP) against HIV infection was discussed. The fragment, the unnatural nucleobase 2-fluoroadenine, was incorporated into MK-8591 via a biocatalytic aldol-glycosylation cascade, which imposed stringent requirements for its synthesis and isolation. Presented herein was the development work leading to a practical, scalable route from guanine, featuring a dual fluorination approach to a novel 9-THP-2,6-difluoropurine intermediate that enables a mild, highly selective, direct amination. This one-pot fluorination/amination sequence utilized a direct isolation to deliver high purity 9-THP-2-fluoroadenine, which features ideal properties with respect to reactivity, solubility, and crystallinity. An acid-catalyzed liberation of 2-fluoroadenine in aqueous buffer delivers the appropriate purity profile to facilitate the enzymic cascade to access MK-8591.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 70-23-5, is researched, Molecular C5H7BrO3, about Green production and antioxidant activity study of new pyrrolo[2,1-a]isoquinolines, the main research direction is phthaldehyde primary amine bromoalkane acetylene carboxylate four component reaction; pyrroloisoquinoline preparation antioxidant green chem; chromenoindolizine preparation; pyranopyrroloisoquinoline preparation.Category: oxazolidine.

In current research, pyrrolo[2,1-a]isoquinolines, compounds I [R1 = CN; R2 = CO2Et, 4-BrC6H4, etc.; R3 = H, CO2Me, CO2Et; R4 = Me, Et; X1 = H, Me, MeO; X2 = H, Me] were synthesized via a new process of four-component reaction of phthalaldehyde or its derivatives, primary amines, alkyl bromides, activated acetylenic compounds and potassium fluoride/Clinoptilolite nanoparticles (KF/CP NPs) under solvent-free conditions at room temperature Also, Diels-Alder reactions took place in the reaction of synthesized pyrrolo[2,1-a]isoquinoline derivatives, activated acetylenic compounds and triphenylphosphine in the presence of KF/CP NPs under solvent-free conditions at room temperature As well, antioxidation property of some prepared pyrrolo[2,1-a]isoquinolines were investigated by employing trapping of diphenyl-picrylhydrazine (DPPH) radical and ability of ferric reduction experiment Among investigated compounds, compounds I [R1 = CN, R2 = 4-MeC6H4, R3 = CO2Me, R4 = Me, X1 = H, X2 = Me] have good results relative to BHT and TBHQ as standard antioxidant. Reported method has good rate of reaction, product with high efficiency and simple removal of catalyst from mixture of reaction. In these reactions, KF/Clinoptilolite nanoparticles show a satisfactory recyclable activity.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one(SMILESS: CC1=NC(=CC(N1)=O)O,cas:1194-22-5) is researched.Related Products of 67914-60-7. The article 《The unimolecular chemistry of protonated and deprotonated 2,2-dinitroethene-1,1-diamine (FOX-7) studied by tandem mass spectrometry and computational chemistry》 in relation to this compound, is published in European Journal of Mass Spectrometry. Let’s take a look at the latest research on this compound (cas:1194-22-5).

2,2-Dinitroethene-1,1-diamine (FOX-7) was studied by means of electrospray ionization (ESI) and chem. ionization (CI) mass spectrometry in both pos. and neg. ion mode. Detailed mechanisms of unimol. fragmentations of protonated and deprotonated FOX-7 were investigated using high- and low-energy collision-induced dissociation (CID) mass spectrometry, neutral fragment reionization mass spectrometry and quantum chem. calculations In deprotonated FOX-7, elimination of the carbodiimide mol. was identified as the energetically most favored fragmentation channel, closely resembling the base hydrolysis of FOX-7. The dinitromethanide ion is formed during this fragmentation as revealed by comparison with CID mass spectra of an isobaric ion prepared by the ESI of authentic sodium dinitromethanide. The proton affinity of FOX-7 was estimated as 855 kJ mol-1 by high-accuracy quantum chem. calculations This value corresponds to protonation at the C-2 position, though the oxygen-protonated tautomer was found to be nearly isoenergetic in the gas phase. In acetonitrile, the nitro group-protonated FOX-7 was found to be significantly less stable than its C-2 tautomer. These theor. findings are clearly reflected in differences in fragmentations of ESI- and CI-generated [M + H]+ ions. Interestingly, the consecutive losses of OH• and NO2• radicals instead of a whole HNO3 mol. were found to account for the most abundant fragment ion in the pos. ESI CID mass spectra. In the CI-generated [M + H]+ and [M + D]+ ions, substantial internal energy effects upon the CID were observed

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – 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, Molbank called Diethyl pyrrole-2,5-dicarboxylate, Author is Aitken, R. Alan; Bloomfield, Charles; McGeachie, Liam J. R.; Slawin, Alexandra M. Z., which mentions a compound: 70-23-5, SMILESS is O=C(OCC)C(CBr)=O, Molecular C5H7BrO3, Related Products of 70-23-5.

The di-Et pyrrole-2,5-dicarboxylate were obtained in moderate yield by a new and unexpected base-induced ring contraction from a 3,5-di-Et 2H-1,4-thiazine-3,5-dicarboxylate precursor. Its X-ray structure showing hydrogen bonded dimers was compared with those of other crystallog. characterized di-Et pyrrole-2,5-dicarboxylate.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem