Day: April 2, 2022

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: 3326-71-4, is researched, Molecular C5H6N2O2, about Ultrasound-assisted, low-solvent and acid/base-free synthesis of 5-substituted 1,3,4-oxadiazole-2-thiols as potent antimicrobial and antioxidant agents, the main research direction is oxadiazole thiol preparation ultrasound green chem antioxidant antibacterial antifungal; 1,3,4-Oxadiazole; Antibacterial; Antifungal; Antioxidant; Green synthesis; Ultrasound irradiation.Quality Control of 2-Furoic hydrazide.

In this study, a novel process for the synthesis of 5-substituted 1,3,4-oxadiazole-2-thiol derivatives I (R = Ph, 4-pyridinyl, 4-methyl-1,2,3-thiadiazol-5yl, etc.) was proposed via ultrasound-assisted reaction of aryl hydrazides RC(O)NHNH2 with CS2 (1:1 molar ratio) in some drops of DMF in the absence of basic or acidic catalysts. They were produced in good to excellent yields under easy workup and purification conditions. In order to prove the usefulness of the prepared compounds, their antioxidant, antibacterial, and antifungal potentials were screened by DPPH free radical scavenging, serial twofold microdilution and streak plate methods. Acceptable to significant inhibitory activities were observed with synthesized heterocycles. The results showed that compound I (R = 4-fluorophenyl) is a broad-spectrum antimicrobial agent. Many of them displayed remarkable antioxidant properties comparable to standard controls (ascorbic acid and α-tocopherol). Synthesized 1,3,4-oxadiazoles I are also potent candidates to treat cancer, Parkinson, inflammatory, and diabetes diseases.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Electric Literature of C5H6N2O2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about Synthesis, biological profile and computational studies of some trichloropyrimidine derivatives. Author is Sandeep, Thummar; Vasishta, Bhatt.

A series of (((oxadiazolyl-thio)(nitrophenyl-amino)pyrimidinyl)hydrazinyl)-N-phenylacetamide motifs I [R = Ph, 2-furyl, 3-pyridyl, etc.] was synthesized and studied for their antibacterial and antifungal activities as well as for mol. docking and FMO studies. All the synthesized mols. were characterized by 1H NMR and 13C NMR spectroscopic anal. Compounds I [R = 3-pyridyl, 4-pyridyl] were found to be potentially active against gram neg. and gram-pos. bacteria with MIC value between 62.5 to 500μg/mL. The mol. docking studies of compounds I [R = Ph, 3-pyridyl] were further carried out to discover the interaction with active sites.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Configuration determinations in the terpene series. II. The optically active forms of β-isopropyladipic acid and their relation to the optically active limonenes》. Authors are Braun, Julius V.; Werner, Georg.The article about the compound:cis-Cyclohexane-1,2-dicarboxylic acidcas:610-09-3,SMILESS:O=C([C@H]1[C@@H](C(O)=O)CCCC1)O).Application In Synthesis of cis-Cyclohexane-1,2-dicarboxylic acid. Through the article, more information about this compound (cas:610-09-3) is conveyed.

cf. C. A. 20, 2990. It was shown in the 1st paper that the configuration of the C atom carrying the Me group in the natural d-rotatory citronellol, the d-rotatory citronellol, pulegone, the d-rotatory menthone and l-rotatory menthol is the same and corresponds to that of the d-rotatory pyrotartaric (I) and of the d-rotatory β-methyladipic acid (II) when the formulas of these compounds are so written that the valence to the O-containing part of the mol. (or the nearer CO2H group in the case of II) of the asym. C atom corresponds to that through which in I the CO2H group is held. This was shown by establishing the genetic relationship between I and the II which is obtained by the oxidative degradation of some of these compounds It is probable, although not definitely proved, that this configuration corresponds to that of d-tartaric acid and the prefix d-is accordingly used for the Me-carrying C atom in this series of compounds These results gave rise to the desire to determine whether there is a similar simple relationship as regards another asym. C atom often occurring in this class of compounds, viz., the C atom, usually in the 4-, more rarely in the 3-position to the CHMe group, canying the iso-Pr or isopropenyl residue, and which either alone (as in limonene, carvone, diosphenul, silvestrene) or together with the CHMe group (as in menthone) conditions the optical activity. It is known that in some cases this C atom call be oxidized out as isopropylsuccinic acid and in others as β-isopropyladipic acid (III). Here, however, the problem was much more difficult, for there were in general no exact data in the literature oil the optical activity of the 2 expected iso-Pr-containing di-CO2H acids, on the d- and l-forms prepared artificially by resolution of the dl-forms and, naturally, on the genetic relationship between the tartaric acids and there acids; finally, the inactive III is extraordinarily difficultly available. The 1st problem attacked, therefore, was that of preparing III in sufficient quantities. A repetition of Blanc’s work convinced v. B. and W. that this method would not be practical but the fact that p-methylcyclohexanol readily yields II on oxidation suggested the use of p-isopiopylyleyclohexanol (IV) as the starting material. p-iso-PrC6H4OH was readily hydrogenated with Ni at 150° to IV and this, after some experimenting to determine the proper conditions, was converted with satisfactory yield into III which by means of strychnine was resolved into the d-rotatory form with maximum rotation and the l-rotatory form with not quite a constant final rotation. To oxidize the optically active 4-C atom out of limonene the 8,9-double bond naturally had first to be eliminated. This, it was found, could not be effected by adding HCl, for extensive racemization. occurred in the process and by varying the length of the HCl treatment hydrochlorolimonenes with widely different rotations could be obtained. On the other hand, the dihydrolimonene (V) obtained by hydrogenation of pure d-rotatory limonene with H2 and Pt gave an optically active ketoaldehyde (VI) and keto acid (VII) and the latter finally yielded a III with the same rotation as that obtained by resolution of the dl-form. On the very probable assumption that, like-the d-rotatory II, it belongs to the d-series, the d-rotatory hydrocarbon would then be represented by the symbol d(+)-limonene. dl-III, obtained in 50% yield from IV (in not more than 10 g. portions) shaken 8-10 hrs. below 10° with 3 parts KMnO4 and 0.5 part KOH in not quite 100 parts H2O, b12 215-8°, m. 75°; di-Et ester, b12 145-50°, d420 0.9776. Strychnine salt of (+)-acid, m. 182°; Na salt, [α]D 5.4°; free acid, m. 66°. (-)-Acid, m. around 60° ; Na salt, [α]D -4.1°. Chloride of the (+)-acid, prepared with cold SOCl2, b16 145-6°, d420 1.1023, [α]D20 1.134°; amide, m. 169.5°, [α]D20 9.5° (2.22% aqueous solution); Et ester, prepared with HCl and alc., b13 145-50°, d420 0.9776, [α]D20 -1.534° (no solvent). With HCl very carefully dried with H2SO4 and P2O5 v. B. and W. obtained, after saturating limonene in CS2 for 6 hrs., an analytically pure HCl addition product, b16 100-1°, with [α]D 75.8°; after 8 hrs. [α]D was 54°, after 24 hrs. treatment with a current of HCl, standing another 2 days under HCl pressure and again treating 5 hrs. with HCl it was 33°. The V, [α]678 118°, was obtained by Vavon’s method (Pd, either on charcoal or colloidal in gum arabic, instead of Pt gave a mixture of unchanged limonene and the di- and tetrahydro derivatives). VI, from V and 3% O2 in 4 parts AcOH (yield, more than 60%), b12 130-2°, d420 0.9393, [α]D20 -6.97°; semicarbazone, m. 182-3°. VII, from VI and cold aqueous KMnO4 (somewhat more than 1 atom O; yield, 75%), thick yellowish oil, b12 188°, dD20 1.020, [α]D20 2.5°, gives (+)-III with ice-cold NaOBr (6 atoms Br).

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

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: 610-09-3, is researched, SMILESS is O=C([C@H]1[C@@H](C(O)=O)CCCC1)O, Molecular C8H12O4Journal, Article, Journal of Chromatography A called Preparative separation of isomeric and stereoisomeric dicarboxylic acids by pH-zone-refining counter-current chromatography, Author is Weisz, Adrian; Idina, Ana; Ben-Ari, Julius; Karni, Miriam; Mandelbaum, Asher; Ito, Yoichiro, the main research direction is dicarboxylic acid isomeric stereoisomer pH zone refining countercurrent chromatog.COA of Formula: C8H12O4.

This work involves the preparative separation of some isomeric dicarboxylic acids using pH-zone-refining countercurrent chromatog. (CCC), a relatively new preparative technique for the separation of ionizable compounds The paper concentrates especially on the separation of a synthetic mixture of closely related cis and trans pairs of 1-methyl- and 1,3-dimethyl-1,3-cyclohexanedicarboxylic acids. The elution sequence of the isomers is discussed in terms of their relative acidities (pKa values) in solution and gas phase, hydrophobicities, and steric configuration. Two possible explanations are suggested for the mechanism of separation They both involve the amount of retainer acid used, as it affects the separation and plays a role in the chemohydrodynamic equilibrium of the dicarboxylic acids in the column.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Category: benzisoxazole. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Methyl 2,4-dichloronicotinate, is researched, Molecular C7H5Cl2NO2, CAS is 442903-28-8, about Delivering strong 1H nuclear hyperpolarization levels and long magnetic lifetimes through signal amplification by reversible exchange. Author is Rayner, Peter J.; Burns, Michael J.; Olaru, Alexandra M.; Norcott, Philip; Fekete, Marianna; Green, Gary G. R.; Highton, Louise A. R.; Mewis, Ryan E.; Duckett, Simon B..

Hyperpolarization turns typically weak NMR and MRI responses into strong signals so that ordinarily impractical measurements become possible. The potential to revolutionize anal. NMR and clin. diagnosis through this approach reflect this area’s most compelling outcomes. Methods to optimize the low-cost parahydrogen-based approach signal amplification by reversible exchange with studies on a series of biol. relevant nicotinamides and Me nicotinates are detailed. These procedures involve specific 2H labeling in both the agent and catalyst and achieve polarization lifetimes of ∼2 min with 50% polarization in the case of methyl-4,6-d2-nicotinate. Because a 1.5-T hospital scanner has an effective 1H polarization level of just 0.0005% this strategy should result in compressed detection times for chem. discerning measurements that probe disease. To demonstrate this technique’s generality, the authors exemplify further studies on a range of pyridazine, pyrimidine, pyrazine, and isonicotinamide analogs that feature as building blocks in biochem. and many disease-treating drugs.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

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: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about Kinetic and mechanistic analysis of oxidation of 2-furoic hydrazide by hexachloroirradate(IV) in a wide pH range.Computed Properties of C5H6N2O2.

Oxidation of 2-furoic hydrazide (FH) by hexachloroiridate(IV) ([IrCl6]2-) was studied kinetically in a wide pH range in aqueous solution of 1.0 M ionic strength. The oxidation reaction followed well-defined second-order kinetics: – d[IrCl62-]/dt = k'[FH]tot[IrCl62-], where [FH]tot denotes the total concentration of FH and k’ stands for the observed second-order rate constants The established k’-pH profile displays that k’ increases drastically with pH and a plateau region exists between pH 4 and 6. A stoichiometric ratio of Δ[FH]tot/Δ[IrCl62-] = 1/4 was revealed by spectrophotometric titrations 1H NMR spectroscopic studies indicated that FH was cleanly oxidized to 2-furoic acid. The kinetic data suggest a reaction mechanism in which all the three protolysis species of FH react with [IrCl6]2- in parallel, forming the rate-determining steps. Two stabilized hydrazyl radicals are generated in the rate-determining steps, in which a single electron is transferred to [IrCl6]2-. The two hydrazyl radicals react rapidly in consecutive steps requiring 3 mol of Ir(IV) to form 2-furoic acid as the final product. Rate constants of the rate-determining steps were deduced through a simulation of the rate expression to the k’-pH dependency data. Values of these rate constants demonstrate that the three protolysis species of FH have a huge reactivity span, changing by about 109 times toward reduction in [IrCl6]2- and that FH can be readily oxidized in neutral and basic media. Rapid scan spectra and the measured activation parameters suggest that an outer-sphere electron transfer is probably taking place in each of the rate-determining steps. This is the first kinetic study on the oxidation reactions of FH and provides concurrently the protolysis constants of FH (pKa1 = 3.04 ± 0.08 and pKa2 = 11.6 ± 0.1) at 25.0 °C and 1.0 M ionic strength.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

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, Plant Physiology called Structure of some cyclohexyl compounds as related to their ability to stimulate plant growth, Author is Wort, D. James; Patel, Kanti M., which mentions a compound: 610-09-3, SMILESS is O=C([C@H]1[C@@H](C(O)=O)CCCC1)O, Molecular C8H12O4, Electric Literature of C8H12O4.

Of 9 cyclohexyl compounds tested as plant growth regulators on bush bean plants (Phaseolus vulgaris), only cyclohexanecarboxylic (I) [98-89-5] and cyclohexylacetic acid (II) [5292-21-7] significantly increased pod production Among I, II, cyclohexylpropionic [701-97-3], and cyclohexylbutyric acid [4441-63-8], the stimulating effect decreased as the number of CH2 groups in the side chain increased, from 0-3. The effective compounds possessed an H-saturated C6-ring with a single carboxyl group attached directly to the ring or separated by 1 ≤ CH2 group.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

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 Solid-phase synthesis of hybrid 2,5-diketopiperazines using acylhydrazide, carbazate, semicarbazide, amino acid, and primary amine submonomers, published in 2020-03-06, which mentions a compound: 3326-71-4, mainly applied to diketopiperazine solid phase enantioselective synthesis crystal structure solubility NBO; solid phase peptide synthesis cyclization displacement acylation; chirality acylhydrazide carbazate semicarbazide amino acid amine mol structure, SDS of cas: 3326-71-4.

46We report the solid-phase synthesis of N,N’-di(acylamino)-2,5-diketopiperazine, an acylhydrazide-based conformationally rigid 2,5-DKP scaffold having exocyclic N-N bonds. We also show that different combinations of acylhydrazides, carbazates, semicarbazides, amino acids, and primary amines can be used to synthesize a highly diverse collection of hybrid DKP mols. via the solid-phase submonomer synthesis route. Finally, we show incorporation of a Me substituent in one of the carbon atoms of the DKP ring to generate chiral daa- and hybrid-DKPs without compromising the synthetic efficiency.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

Formula: C5H6N2O2. 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: 2-Furoic hydrazide, is researched, Molecular C5H6N2O2, CAS is 3326-71-4, about Chemistry of mixed-ligand oxidovanadium(IV) complexes of aroylhydrazones incorporating quinoline derivatives: Study of solution behavior, theoretical evaluation and protein/DNA interaction.

A series of eight hexacoordinated mixed-ligand oxidovanadium(IV) complexes [VO(Lx)(LN-N)] (1-8), where Lx = L1 – L4 are four differently substituted ONO donor aroylhydrazone ligands and LN-N are N,N-donor bases like 2,2′-bipyridine (bipy) (1, 3, 5 and 7) and 1,10-phenanthroline (phen) (2, 4, 6 and 8), are reported. All synthesized complexes were characterized by various physicochem. techniques and mol. structures of 1 and 6 were determined by x-ray crystallog. With a view to evaluate the biol. activity of the VIVO species, the behavior of the systems VIVO2+/Lx, VIVO2+/Lx/bipy and VIVO2+/Lx/phen was studied as a function of pH in a mixture of H2O/DMSO 50/50 (volume/volume). DFT calculations allowed finding out the relative stability of the tautomeric forms of the ligands, and predicting the structure of vanadium complexes and their EPR parameters. To study their interaction with proteins, firstly the ternary systems VIVO2+/L1,2 with 1-methylimidazole, which is a good model for histidine binding, were examined Subsequently the interaction of the complexes with lysozyme (Lyz), cytochrome c (Cyt) and bovine serum albumin (BSA) was studied. The complexes showed moderate binding affinity towards BSA, while no interaction takes place with lysozyme and cytochrome c. This could be explained with the higher number of accessible coordinating and polar residues for BSA than for Lyz and Cyt. Further, the complexes were also evaluated for their DNA binding propensity through UV-visible absorption titration and fluorescence spectral studies. These results were consistent with BSA binding affinity and showed moderate binding affinity towards CT-DNA.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics

COA of Formula: C6H10O3. 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: Methyl tetrahydrofuran-2-carboxylate, is researched, Molecular C6H10O3, CAS is 37443-42-8, about Synthesis of the alkyl esters of α-furoic acid as flavors. Author is Yao, Lihong; Su, Chang’an; Chen, Xin; Qi, Liquan; Tie, Mei.

The seven alkyl esters of α-furoic acid were synthesized in 80-95.6% yields by refluxing the solution of benzene (or toluene) containing 0.1 mol α-furoic acid and the corresponding aliphatic alcs. (0.12∼0.5 mol) for 3 h in the presence of p-toluenesulfonic acid (0.01 mol) and 5 mL 30% hydrogen peroxide.

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Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics