Month: April 2022

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: 6-Acetylbenzo[d]oxazol-2(3H)-one, is researched, Molecular C9H7NO3, CAS is 54903-09-2, about 6-Alkylbenzoxazolinones. Chemical and pharmacodynamic studies.Related Products of 54903-09-2.

Eleven title compounds (I; R1 = Me or H; R2 = Me, Ph, benzyl, CH2Cl, CH2Br, or CHBrM4) were prepared by a general method consisting of reduction of the corresponding 6-acyl derivatives (OCR2) with Et3SiH in F3CCO2H medium. Yields were 50-90%, with no side products. Six I were screened in mice for acute toxicity and for analgesic and psychotropic activities. At 200 mg/kg, orally, these compounds had lower analgesic activity than the reference substance, 6-benzoylbenzoxazolinone; at 100 mg/kg, only 6-ethylbenzoxazolinone  [93771-18-7] was more active, but this analgesic activity was accompanied by a psychotropic component. Furthermore, this psychotropic activity was found with almost all the I at the dose of 200 mg/kg, a component which was not present in the previously studied carbonyl (6-acyl) analogs.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Recommanded Product: 2343-22-8. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 5-Fluoroindoline, is researched, Molecular C8H8FN, CAS is 2343-22-8, about Ruthenium-Catalyzed Dehydrogenation Through an Intermolecular Hydrogen Atom Transfer Mechanism. Author is Huang, Lin; Bismuto, Alessandro; Rath, Simon A.; Trapp, Nils; Morandi, Bill.

The direct dehydrogenation of alkanes is among the most efficient ways to access valuable alkene products. Although several catalysts have been designed to promote this transformation, they have unfortunately found limited applications in fine chem. synthesis. Here, we report a conceptually novel strategy for the catalytic, intermol. dehydrogenation of alkanes using a ruthenium catalyst. The combination of a redox-active ligand and a sterically hindered aryl radical intermediate has unleashed this novel strategy. Importantly, mechanistic investigations have been performed to provide a conceptual framework for the further development of this new catalytic dehydrogenation system.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Nallagonda, Rajender; Musaev, Djamaladdin G.; Karimov, Rashad R. published the article 《Light-Promoted Dearomative Cross-Coupling of Heteroarenium Salts and Aryl Iodides via Nickel Catalysis》. Keywords: dihydropyridine aryl preparation regioselective; aryl iodide pyridinium dearomative cross coupling nickel iridium photocatalyst.They researched the compound: 1-(Bromomethyl)-4-iodobenzene( cas:16004-15-2 ).Synthetic Route of C7H6BrI. 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:16004-15-2) here.

Herein, the coupling of aryl iodides, e.g., Ph iodide with pyridinium and related heteroarenium salts, e.g., I catalyzed by Ni/bpp and an Ir photocatalyst using Zn as a terminal reductant was reported. This methodol. tolerates a wide range of functional groups and allows the coupling of aryl and heteroaryl iodides, thus significantly expanding the scope of nitrogen heterocycle scaffolds, e.g., II that could be prepared through dearomatization of heteroarenes. The reaction products have been further functionalized to prepare various nitrogen heterocycles. Initial mechanistic studies indicate that the reaction described herein goes through a unique mechanism involving dimers of dihydroheteroarenes.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1,10-Phenanthroline(SMILESS: C1=CC3=C(C2=NC=CC=C12)N=CC=C3,cas:66-71-7) is researched.Related Products of 15418-29-8. The article 《Improved singlet oxygen generation in rhenium(I) complexes functionalized with a pyridinyl selenoether ligand》 in relation to this compound, is published in Polyhedron. Let’s take a look at the latest research on this compound (cas:66-71-7).

The synthesis, characterization, electrochem. and photophys. properties of three novel polypyridine rhenium(I) complexes coordinated to an organoselenide ligand, 4-(phenylseleno)-pyridine (PhSepy), and structurally related polypyridine ligands, fac-[Re(CO)3(NN)(PhSepy)]+ NN = 1,10-phenanthroline (phen), 4,7-diphenyl-1,10-phenanthroline (ph2phen) and pyrazino[2,3-f]-1,10-phenanthroline (dpq), are reported. In addition, their ability to act as a photosensitizer agent for the generation of singlet oxygen was investigated. Cyclic and differential pulse voltammetry experiments showed an overlap of the redox waves characteristic of the 4-(phenylseleno)-pyridine ligand and the Re(I) complex. This finding is consistent with a strong contribution of the pyridine-based ligand on the HOMO levels of the three investigated complexes, further supported by quantum mech. calculations Moreover, the lowest energy band observed in the absorption spectra of the complexes was also influenced by the organoselenide ligand, with a combination of the usual MLCTRe→NN transition with a ligand-to-ligand charge transfer (LLCT) one. The three complexes showed typical emission spectra for this class of compounds ascribed to 3MLCTRe→NN, with excellent quantum yields for the singlet oxygen generation (ΦΔ = 0.65-070). Remarkably, these are significantly larger (15-29%) than those for structurally related complexes with non-functionalized pyridyl ligands, revealing a significant ability as a photosensitizer agent. Therefore, authors envisage this work to be of interest to those engaged in the development of novel rhenium(I) complexes for optoelectronic applications.

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Reference:
Piperazine – Wikipedia,
Piperazines – 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-Bromopriopionaldehydediethylacetal, is researched, Molecular C7H15BrO2, CAS is 3400-55-3, about Alkylation of disodiopentane-2,4-dione with halo acetals.Recommanded Product: 2-Bromopriopionaldehydediethylacetal.

NaCH2COCHNaCOMe with RCH2CH(OR1)2 (I; R = Br, R1 = Me, Et, CH2) gave 49, 46, and 38% (R1O)2CH(CH2)2COCH2COMe, resp. Similarly Br(CH2)2CH(OEt)2 and Cl(CH2)2CH(OCH2)2 gave dioxooctanal acetals. The lack of reactivity between I (R = Cl, R1 = Me, Et, CH2) and NaCH2COCHNaCOMe was explained by steric hindrance and the leaving group ability of Cl.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Heterocyclic vinyl eters. XVI. 2,5 Dimethyl-1,4-dithiadiene》. Authors are Parham, William E.; Mayo, Gwendolyn L. O.; Gadsby, Brian.The article about the compound:2-Bromopriopionaldehydediethylacetalcas:3400-55-3,SMILESS:CC(Br)C(OCC)OCC).Synthetic Route of C7H15BrO2. Through the article, more information about this compound (cas:3400-55-3) is conveyed.

cf. C.A. 53, 17133b. 2,5-Dimethyl-1,4-dithiadiene (I), the 1st example of an alkyl dithiadiene, was prepared Na2S.9H2O (559 g.) in 2800 cc. boiling 95% EtOH and 149 g. S refluxed 10 min., treated with 654 g. MeCHBrCH(OEt)2 at such a rate as to maintain reflux, refluxed 3 hrs., 500 cc. solvent removed, treated with 135 g. NaHCO3, distilled to collect 2.1 l. solvent, cooled, diluted with 1500 cc. H2O, and extracted with Et2O, the extract evaporated, and the residue kept in vacuo to constant weight gave 525-50 g. black oily residue, n26D 1.50; a 538-g. portion in 500 cc. dry Et2O diluted with 5 l. liquid NH3, treated with 200 g. Na during 1 hr. and then with 500 cc. liquid NH3, stirred 30-40 min., treated with 200 g. NH4Cl in small portions, and evaporated with stirring, the gummy residue kept at 32° overnight, stirred with 1 l. iced H2O, adjusted with concentrated HCl to pH 8-8.5 and then with CO2 to pH 7.8-8.0, the aqueous layer extracted with Et2O, and the combined organic layer and Et2O extract worked up gave 300 g. MeCH(SH)CH(OEt)2 (II), b9 60-78°, n27D 1.436-1.437. II (1.5 g.), NaOEt from 0.23 g. Na in 10 cc. EtOH, and 1.5 cc. BuBr refluxed 1.5 hrs., acidified with concentrated HCl, and treated with 2,4-(O2N)2C6H3NHNH2 gave 2,4-(O2N)2C6H3NHN:CHCH(SBu)Me, 110-11° (95% EtOH). p-MeC6H4SO3H.H2O (1.0 g.) in C6H6 dried azeotropically, treated with 49.2 g. II, refluxed 2 hrs., cooled, washed, dried, and distilled yielded 26.2 g. semisolid mixed isomers of 2,5-dimethyl-3,6-diethoxy-1,4-dithiane (III), b0.35 82-7°, n25D 1.5012; the solid portion of the mixture recrystallized from 95% EtOH gave the α-isomer, cubes, m. 119-20°. Powd. KMnO4 (47.4 g.) added in small portions to 23.6 g. mixed isomeric III in 162 g. glacial AcOH, the mixture kept 3 days at room temperature, the AcOH distilled the residue diluted with 160 cc. H2O, treated with SO2, and filtered, the tarry, yellow, semisolid residue dried in vacuo and extracted with EtOAc in a Soxhlet apparatus, and the extract worked up gave 5.22 g. tetroxide of III, needles, m. 190-1° (absolute EtOH). III (12.00 g.) and 0.1 g. P2O5 heated at 160°, 1.93 g. EtOH removed during 2 hrs., the residue cooled and diluted with Et2O, and the Et2O solution worked up gave 4.24 g. 3-ethoxy-2,5-dimethyl-1,4-dithi-5-ene (IV), b5.3 104-5°, b0.25 60-2°, n26.5D 1.5437. The solid isomeric III (3.66 g.) gave 1.03 g. IV. Al2O3 pellets (60 g.) heated 40-8 hrs. at 260° in a vertical tube under N, cooled to 213°, 5 cc. absolute EtOH passed at 10-12 drops/min. with about 0.5 l. N/min. through the tube, 30 g. III in 25 cc. absolute EtOH added at the same rate and finally 10 cc. absolute EtOH, and the pyrolyzate condensed in a Dry Ice trap, washed with 2% aqueous NaOH and saturated aqueous NaCl, dried, and distilled yielded 6.9 g. I, b2.8 72-8°, n25D 1.56, and 8.2 g. IV, b2.0 91-106°, n26.5D 1.5329-1.5258. Similar pyrolytic runs on Al2O3, conditioned at 316-60° with a N flow of 0.3-0.5 l./min., at 204-310° gave yields of I and IV varying from 0-38 and 0-64%, resp.; at temperatures above 270° neither I nor IV were obtained. I (about 5 g.) in 1:1 Et2O-petr. ether chromatographed on Al2O3 gave pure I, pale yellow oil, b2.0 61-2°, n26D 1.5754. IV purified similarly gave an almost colorless oil, b2.4 90-2.5°, n26.9D 1.5383. IV (22.5 g.) passed at 227° over 60 g. Al2O3 pellets (conditioned at 360°) gave 7.1 g. unchanged IV, n26D 1.534, and 5.0 g. I, n26D 1.568. I (0.400 g.) in glacial AcOH treated at 70° with 2.5 cc. 30% H2O2 during 1.5 hrs., kept 18 hrs. at 70° and 1 hr. at 10°, and filtered from 0.35 g. product, the filtrate evaporated to dryness, the residue dissolved in 2 cc. glacial AcOH, treated with a few drops 30% H2O2, heated 0.5 hr. on the steam bath, and filtered, and the combined residues (0.57 g.) recrystallized from 95% EtOH gave tetroxide of I, m. 218-21° with sublimation. I (4.35 g.), b2.3 62-4°, n27.3D 1.5702, refluxed under a stream of N 1 hr. gave 0.88 g. 2,4-dimethylthiophene (V), n27.8D 1.5057, b. 90-138°, the residue distilled yielded 0.27 g. liquid, b2 55°, n27D 1.5218, and 2.13 g. black residue. V (0.75 g.) in 1.0 cc. C6H6 and 1.36 g. Ac2O treated at 60° with 4 drops 85% H2PO4, refluxed 2.5 hrs., cooled, diluted with 2.5 cc. H2O, kept overnight, and extracted with Et2O, the extract washed, dried, and evaporated, the residue refluxed 2 hrs. with 1 g. NH2OH.HCl, 5 cc. C5H5N, and 5 cc. absolute EtOH and evaporated at room temperature in vacuo, the residual oil triturated with 5 cc. H2O, and the resulting solid recrystallized from 95% EtOH gave a mixture, m. 55-68°, of a material, m. about 65°, and a material, m. about 120°, which could not be separated chromatographically; the mixture kept 14 days at room temperature in a sublimation apparatus gave a small amount of oxime of V, m. 118-23° (aqueous EtOH). p-MeC6H4SO3H (0.2 g.), 44.0 g. BuOH, and 12.0 g. IV refluxed 24 hrs., cooled, diluted with 150 cc. Et2O, and worked up gave 2.5 g. unchanged IV, and 7.3 g. 3-butoxy-2,5-dimethyl-1,4-dithi-5-ene, pale yellow oil, b0.45 81-91°, n28D 1.52; it reacted rapidly with O. I (1.89 g.) in 15 cc. petr. ether treated rapidly with 1.75 g. AlCl3, diluted with H2O, and stirred overnight, and the gray tarry precipitate triturated with 95% EtOH left a gray solid, (C6H8S2)x, m. 140-50°, insoluble in EtOH and Et2O. I (1.48 g.) in 125 cc. Ac2O treated with 1.3 cc. nitrating solution gave 0.30 g. amorphous brown solid. I (3.2 g.) in 25 cc. CCl4 treated at 0° with 1.6 g. Cl gave a CHCl3-insoluble black tar, and a CHCl3-soluble oil, b2.2 70° to b0.2 80°, which rapidly decomposed to a black tar and HCl. I (1.40 g.) in 130 cc. Ac2O treated with 1.6 g. Br gave 0.36 g. brown amorphous solid, m. 40-70° (the solid contained Br but decomposed upon attempted recrystallization), and 0.95 g. unidentified Et2O-soluble oil which gave no solid on oxidation with H2O2 in AcOH at 70°. I (1.5 g.), 1.4 g. Ac2O, and 2 drops 85% H3PO4 heated at 100° yielded 0.6 g. unchanged I and 0.22 g. orange oil, n25D 1.5850, which showed a CO absorption. I (1.00 g.) and a solution prepared from 58 g. HgCl2, 12 g. 33% aqueous NaOAc, and 54 g. 95% EtOH gave 1.35 g. solid, m. 100-30°, which digested with hot EtOH and filtered hot gave a solid, m. 85-100° (EtOH). Similar runs in the absence of NaOAc gave impure amorphous solids, m. above 285° and 100-200° (decomposition), resp.

There is still a lot of research devoted to this compound(SMILES：CC(Br)C(OCC)OCC)Synthetic Route of C7H15BrO2, and with the development of science, more effects of this compound(3400-55-3) can be discovered.

Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

HPLC of Formula: 54903-09-2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 6-Acetylbenzo[d]oxazol-2(3H)-one, is researched, Molecular C9H7NO3, CAS is 54903-09-2, about Friedel-Crafts acylation of 2(3H)-benzoxazolone: investigation of the role of the catalyst and microwave activation. Author is Liacha, Messaoud; Yous, Said; Poupaert, Jacques H.; Depreux, Patrick; Aichaoui, Hocine.

To study the scope and limitations of the use of complexed species of AlCl3 in Friedel-Crafts reactions, we investigated the acetylation and benzoylation of 2(3H)-benzoxazolone and 3-methyl-2(3H)-benzoxazolone varying the amide complexing agent. We replaced DMF by N-methylformamide, dimethylacetamide, pyrrolidinone, N-methylpyrrolidinone, tetramethylurea, and DMSO. However, there was no particular advantage of substituting DMF by another amide ligand. This can probably be ascribed to the fact that the complex formed between AlCl3 and the complexing agent becomes too stable. Alternatively, a route using polyphosphoric acid and microwave activation was explored. The major advantage of running the reaction in a microwave oven was that a good yield was reached in a rather short period of time.

There is still a lot of research devoted to this compound(SMILES：O=C1OC2=CC(C(C)=O)=CC=C2N1)HPLC of Formula: 54903-09-2, and with the development of science, more effects of this compound(54903-09-2) can be discovered.

Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

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: 53562-86-0, is researched, Molecular C5H10O3, about Acclimatization of Baker’s Yeast for Asymmetric Reduction at High Substrate Concentration, the main research direction is Saccharomyces stereoselective reduction acclimatization high substrate.HPLC of Formula: 53562-86-0.

By gradually adding a low content of Me acetoacetate into a solid medium, a new yeast strain, called MAA yeast, was separated from com. baker’s yeast. The new yeast was used for catalyzing asym. reduction of Me acetoacetate in the aqueous phase, and results showed that it was more efficient than regular baker’s yeast in the asym. reduction of Me acetoacetate. The influence of external environment, pH, and temperature on MAA yeast was the same as on baker’s yeast. The yield of Me β-hydroxybutanoate with the new strain was about 13% higher than with baker’s yeast at 0.05 M Me acetoacetate. Similar results were also obtained in experiments, when MAA yeast was used to catalyze other systems, such as reducing Et 4-chloro-3-oxobutanoate to (S)-4-chloro-3-hydroxybutanoate and reducing Et acetoacetate to Et (S)-3-hydroxybutyrate. In addition, the main product was (S)-Me β-hydroxybutanoate at low substrate concentration; however, (R)-Me β-hydroxybutanoate would be obtained when the concentration of substrate exceeded 0.4 M. The morphol. of the new strain is the same as that of baker’s yeast.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

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: 3400-55-3, is researched, Molecular C7H15BrO2, about Fe-Catalyzed Reductive Couplings of Terminal (Hetero)Aryl Alkenes and Alkyl Halides under Aqueous Micellar Conditions, the main research direction is iron catalyst reductive coupling heteroaryl alkene alkyl halide.Recommanded Product: 3400-55-3.

The combination of a vinyl-substituted aromatic or heteroaromatic and an alkyl bromide or iodide leads, in the presence of Zn and a catalytic amount of an Fe(II) salt, to a net reductive coupling. The new C-C bond is regiospecifically formed at rt at the β-site of the alkene. The coupling only occurs in an aqueous micellar medium, where a radical process is likely, supported by several control experiments A mechanism based on these data is proposed.

There is still a lot of research devoted to this compound(SMILES：CC(Br)C(OCC)OCC)Recommanded Product: 3400-55-3, and with the development of science, more effects of this compound(3400-55-3) can be discovered.

Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

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 Synthesis of the dibenzofuran-based diphosphine ligand BIFAP and its water-soluble derivative BIFAPS and their use in ruthenium-catalyzed asymmetric hydrogenation., published in 1999-09-30, which mentions a compound: 53562-86-0, Name is (S)-Methyl 3-hydroxybutanoate, Molecular C5H10O3, Application of 53562-86-0.

The syntheses of both enantiomers of the novel diphosphine ligand 2,2′-bis(diphenylphosphino)-1,1′-bidibenzofuranyl (BIFAP) and the water-soluble analog (-)-2,2′-bis(diphenylphosphino)-1,1′-bidibenzofuranyl-8,8′-disulfonic acid dipotassium salt (BIFAPS) are reported. Advantage is taken of the very high regioselectivity in ring functionalization of the 1,1′-bidibenzofuranyl backbone. These ligands were used in the Ru-catalyzed hydrogenation of Me acetoacetate and (Z)-acetamidocinnamic acid in MeOH and H2O. In MeOH both BIFAP and BIFAPS give the products in very high enantiomeric excess. With BIFAPS in H2O a slight drop in the ee of the products is observed When BIFAPS was used with either H2O or MeOH as the solvent the addition of a small amount of acid turns out to be essential for a fast reaction and high asym. induction.

There is still a lot of research devoted to this compound(SMILES：C[C@H](O)CC(OC)=O)Application of 53562-86-0, and with the development of science, more effects of this compound(53562-86-0) can be discovered.

Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics