Month: April 2022

Computed Properties of C5H2Cl2N4. 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: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about An efficient regioselective synthesis of N-alkylated purine-triazole analogues. Author is Pandit, Chintan; Pandya, Mayank; Jadeja, Yashwantsinh; Gohel, Jyoti; Kapadiy, Khushal.

Nitrogen rich purine adduct 6-chloro-2-hydrazinyl-9H-purine was prepared by reaction of 2,6-dichloro purine with hydrazine hydrate and converted to 4-chloro-8-(3-phenoxyphenyl)-1H,5aH,6H-[1,2,4]triazolo[3,4-b]purine by a simple cyclization process (con.HCl & methanol) on reaction with 3-phenoxy benzaldehyde. These studies gave an idea regarding replacement of chlorine out of C-2 or C-6 position. Novelty was introduced by alkyl substation at N-9 position of imidazole ring and at -NH of triazole ring and a series of 4-chloro-5a,6-dihydro-1,6-dialkylated-8-(3-phenoxyphenyl)-1H-[1,2,4]triazolo[3,4-e]purine I [R = CH3, (CH2)2CH3, CH(CH3)2, etc.] hybrids were synthesized.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

COA of Formula: 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 Synthesis of some potential high energy materials using metal nitrates; an approach towards environmental benign process. Author is Saikia, Ananta; Sivabalan, Renganathan; Gore, Girish M.; Sikder, Arun K..

A novel and efficient method for the synthesis of various promising high energy materials (HEMs) like nitrotriazolone (NTO), 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20), bis (2,2-dinitropropyl)nitramine (BDNPN), 1,1-diamino-2,2-dinitroethylene (FOX-7) etc. using metal nitrates/sulfuric acid as nitrating agent has been described successfully. The synthesized materials have been characterized using various spectroscopic techniques as well as thermal studies and the data obtained confirmed their structure. From the study it was revealed that this method certainly an alternative method of preparation of high energy materials (HEMs) in place of the conventional nitration mixture

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Quality Control of 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone. 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: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Stereoisomers of ketoconazole: preparation and biological activity. Author is Rotstein, David M.; Kertesz, Denis J.; Walker, Keith A. M.; Swinney, David C..

The four stereoisomers of the antifungal agent ketoconazole, (2S,4R)-, (2R,4R)-, (2R,4S)-, and (2S,4S)-(imidazolylmethyl)phenyl{[(acetylpiperazinyl)phenoxy]methyl}dioxolanes I, were prepared and evaluated for their selectivity in inhibiting a number of cytochrome P 450 enzymes. Thus, (bromomethyl)phenyldioxolanes II condensed with 4-(N-acetylpiperazino)phenol and imidazole to give I. II were prepared by bromination of 2′,4′-dichloroacetophenone followed by reaction with (S)- and (R)-solketal tosylate. Large differences in selectivity among the isomers were observed for inhibition of the cytochromes P 450 involved in steroid biosynthesis, whereas little difference was observed for inhibition of those associated with hepatic drug metabolism The cis-(2S,4R) and trans-(2R,4R) isomers are equipotent in inhibiting corticoid 11β-hydroxylase and much more effective than their antipodes. Little selectivity was observed for inhibition of cholesterol side chain cleavage or xenobiotic hydroxylases. These data indicate that the affinity of azoles for cytochrome P 450 enzymes involved in steroid synthesis is high dependent on the stereochem. of the entire mol., whereas binding to drug metabolizing enzymes is a less selective process.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – 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.Yong, Haiwang; Cavaletto, Stefano M.; Mukamel, Shaul researched the compound: Oxazole( cas:288-42-6 ).Safety of Oxazole.They published the article 《Ultrafast Valence-Electron Dynamics in Oxazole Monitored by X-ray Diffraction Following a Stimulated X-ray Raman Excitation》 about this compound( cas:288-42-6 ) in Journal of Physical Chemistry Letters. Keywords: valence electron dynamic oxazole stimulated x ray raman excitation. We’ll tell you more about this compound (cas:288-42-6).

Direct imaging of the ultrafast quantum motion of valence electrons in mols. is essential for understanding many elementary chem. and phys. processes. We present a simulation study of valence-electron dynamics of oxazole. A valence-state electronic wave packet is prepared with an attosecond soft X-ray pulse through a stimulated resonant X-ray Raman process and then probed with time-resolved off-resonant single-mol. X-ray diffraction. We find that the time dependent diffraction signal originates solely from the electronic coherences and can be detected by existing exptl. techniques. We thus provide a feasible way of imaging electron dynamics in mols. Moreover, the created electronic coherences and subsequent electron dynamics can be manipulated by the resonant X-ray Raman excitation tuned to different core-excited states.

Here is just a brief introduction to this compound(288-42-6)Safety of Oxazole, more information about the compound(Oxazole) is in the article, you can click the link below.

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 Development of Candidates for Positron Emission Tomography (PET) Imaging of Ghrelin Receptor in Disease: Design, Synthesis, and Evaluation of Fluorine-Bearing Quinazolinone Derivatives, published in 2018-02-08, which mentions a compound: 67914-60-7, Name is 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, Molecular C12H16N2O2, Category: oxazolidine.

Mol. imaging with positron emission tomog. (PET) is an attractive platform for noninvasive detection and assessment of disease. The development of a PET imaging agent targeting the ghrelin receptor (growth hormone secretagogue receptor type 1a or GHS-R1a) has the potential to lead to the detection and assessment of the higher than normal expression of GHS-R1a in diseases such as prostate, breast, and ovarian cancer. To enable the development of 18F radiopharmaceuticals, we have designed and synthesized three series of quinazolinone derivatives, resulting in the identification of two compound with subnanomolar binding affinity and one fluorine-bearing compound I with picomolar binding affinity (20 pM), representing the highest binding affinity for GHS-R1a reported to date. Two lead compounds (II, IC50 = 20.6 nM; III, IC50 = 9.3 nM) were successfully 18F-radiolabeled with radiochem. purity of greater than 99%. Mol. modeling studies were performed to shed light on ligand-receptor interactions.

Here is just a brief introduction to this compound(67914-60-7)Category: oxazolidine, more information about the compound(1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone) is in the article, you can click the link below.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Electric Literature of C3H3NO. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Benchmarking doubles-corrected random-phase approximation methods for frequency dependent polarizabilities: Aromatic molecules calculated at the RPA, HRPA, RPA(D), HRPA(D), and SOPPA levels. Author is Joergensen, Maria W.; Sauer, Stephan P. A..

The performance of different polarization propagator methods, such as RPA, RPA(D), HRPA, HRPA(D), and SOPPA, have been tested against CC3 values for both static and dynamic polarizabilities. The test set consists of 14 (hetero-)aromatic medium-sized organic mols., mostly with a high degree of symmetry. The benchmark of the methods remarkably reveals that RPA and HRPA(D) yield results comparable with the CC3 values and that they outperform SOPPA for these mols. For a subset of the mols., a comparison could be made to exptl. values. The comparison for static polarizabilities proves that RPA and HRPA(D) as well as RPA(D) reproduce exptl. values to a satisfying precision, whereas the SOPPA method compared to these three methods appears to perform only adequately. An investigation of the performance of Sadlej’s polarized triple zeta basis set against Dunning’s aug-cc-pVTZ basis set was also carried out. It is found that in contrast to other methods, Sadlej’s basis set did not perform sufficiently compared to the larger aug-cc-pVTZ basis set for the RPA based methods. (c) 2020 American Institute of Physics.

Here is just a brief introduction to this compound(288-42-6)Electric Literature of C3H3NO, more information about the compound(Oxazole) is in the article, you can click the link below.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Synthetic Route of C12H16N2O2. 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: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Synthesis of novel N-9 substituted 6-(4-(4-propoxyphenyl)piperazin-1-yl)-9H-purine derivatives as inducers of apoptosis in MCF-7 breast cancer cells. Author is Sunagar, Manjunath G.; Gaonkar, Supreet; Sunagar, Santosh G.; Deshapande, Narahari; Belavagi, Ningaraddi S.; Khazi, Imtiyaz Ahmed M..

A series of N-9 substituted 6-(4-(4-propoxyphenyl)piperazin-1-yl)-9H-purine derivatives (PP05-PP21) were prepared and evaluated for their anticancer activity against a panel of human cancer cell lines. Evaluation of results revealed that some of the synthesized compounds exhibited promising anticancer activity against the examined cancer cell lines. The structure-activity relationship (SAR) studies in the present work revealed that simple N-9 alkyl substituted 6-(4-(4-propoxyphenyl)piperazin-1-yl)-9H-purines are potent anticancer agents. Among all the compounds, PP17 (9-sec-butyl-6-(4-(4-propoxyphenyl)piperazin-1-yl)-9H-purine) showed good inhibitory activity against MCF-7 cells. Cell cycle anal. of the compound suggested that induces G2/M phase arrest. Biochem. experiments showed that PP17 significantly induced MCF-7 cell apoptosis. Therefore, compound PP17 with a potent in vitro anticancer activity can serve as a promising lead compound for further study.

Here is just a brief introduction to this compound(67914-60-7)Synthetic Route of C12H16N2O2, more information about the compound(1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone) is in the article, you can click the link below.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Recommanded Product: 70-23-5. 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: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about A new “”off-on-off”” sensor for sequential detection of Al3+ and Cu2+ with excellent sensitivity and selectivity based on different sensing mechanisms.

A new simple Schiff base, (E)-N-(2-hydroxybenzylidene)imidazo[2,1-b]thiazole-6-carbohydrazide (X), was designed and synthesized based on salicylaldehyde and imidazo[2, 1-b]thiazole. X could be used as a sensor to identify Al3+ through a significant fluorescence enhancement because of CHEF and inhibition of PET process and then to detect Cu2+ through a highly efficient quenching behavior due to the paramagnetic quenching. The sensor showed a high selectivity for Al3+ and Cu2+ in methanol solution at pH = 5 and was not disturbed by other competing metal ions. Furthermore, based on the equation 3σ/slope, the detection limits of sensor for Al3+ and Cu2+ were calculated to be 3.1 x 10-10 M and 9.8 x 10-11 M, resp. Addnl., the association constants of X[Al3+] and X[Cu2+] were also determined to be 2.3 x 104 M-1 and 6.1 x 104 M-1 on basis of Benesi-Hildebrand equation. In addition, the titration experiment of fluorescence and mass spectrometry showed that sensor was combined with Al3+ or Cu2+ both in 1:1 ratio. Moreover, the optimized structure and energy calculations of X, X[Al3+] and X[Cu2+] were obtained by Gaussian software based on the basis set of B3LYP/6-31 G(d) and B3LYP/LANL2DZ. And, the sensor successfully detected Al3+ and Cu2+ in the real water sample with a satisfactory recovery (91.4 % – 107.1 %) and RSD values (0.66 % – 1.91 %).

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Green Regioselective Synthesis of (Purin-6-yl)hydrazones.COA of Formula: C5H2Cl2N4.

Some unique purine hydrazinylidene derivatives I (R1 = Me, CN, CF3; R2 = H, Me, F; R3 = OMe, OEt, pyrazin-2-yl) were synthesized by the regioselective reaction of 2,6-dichloropurine with hydrazine hydrate, followed by condensation with com. available 1,3-dicarbonyl compounds according to a green chem. approach. The regioselectivity of chlorine substitution in 2,6-dichloropurine was established by HMBC (Heteronuclear Multiple Bond Correlation) NMR technique.

Here is just a brief introduction to this compound(5451-40-1)COA of Formula: C5H2Cl2N4, more information about the compound(2,6-Dichloropurine) is in the article, you can click the link below.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Category: oxazolidine. 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: Cupric bromide, is researched, Molecular Br2Cu, CAS is 7789-45-9, about Tris(3-fluorophenyl)antimony Dihalides: Synthesis and Structure.

Tris(3-fluorophenyl)antimony dichloride, dibromide, and diiodide were obtained by the reaction of tris(3-fluorophenyl)antimony with Cl, Br, and I in benzene. Dichloride and dibromide were also obtained in the reaction of tris(3-fluorophenyl)antimony with Cu dihalides in acetone. Tris(3-fluorophenyl)antimony difluoride was obtained in the exchange reaction between tris(3-fluorophenyl)antimony dichloride and NaF. According to single crystal x-ray diffraction data, centrosym. dichloride and dibromide mols. and four types of crystallog. independent diiodide mols. have a trigonal-bipyramidal configuration with electroneg. ligands in axial positions.

Here is just a brief introduction to this compound(7789-45-9)Category: oxazolidine, more information about the compound(Cupric bromide) is in the article, you can click the link below.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem