Category: 82-73-5

Aberkane, Sabrina Messaoud; Palleschi, Vincenzo published the artcile< Comment on: ''Measurement of deviations of transition probability of the neutral silver lines at 827.35 and 768.77 nm using OES-technique"" by Alhijry et al. [JQSRT (2020) 106922]>, Reference of 82-73-5, the main research area is polemic neutral silver line transition probability OES technique.

A polemic in response to Alhijry et al. In this comment we pointed out an error in the identification of the neutral silver line at 768.77 that invalidates some of the results reported in the paper ”Measurement of deviations of transition probability of the neutral silver lines at 827.35 and 768.77 nm using OES-technique” by Alhijry et al., recently published on JQSRT.

Journal of Quantitative Spectroscopy & Radiative Transfer published new progress about Emission spectroscopy. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Reference of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Darensbourg, Donald J.; Mueller, Brian L.; Bischoff, Christopher J.; Reibenspies, Joseph H. published the artcile< Chemistry of zerovalent tungsten alkoxides. Synthesis, x-ray structure and reactivity toward carbon dioxide>, Computed Properties of 82-73-5, the main research area is crystal structure tungstate carbonyl fluoropropoxo; tungstate carbonyl fluoropropoxo fluoropropyl carbonate complex; propoxo tungstate carbonyl complex; carbon dioxide reaction tungstate carbonyl fluoropropoxo.

[PPN][W(CO)5(OCH2CF3)] and [PPN]2[W2(CO)8(OCH2CF3)2] (PPN = (Ph3P)2N+) have been synthesized and characterized. [PPN][W(CO)5(OCH2CF3)] reacted rapidly and reversibly with CO2 to afford [PPN][W(CO)2[OC(O)OCH2CF3]]. The x-rya crystal structure of [PPN]2[W2(CO)8(OCH2CF3)2] has been determined The complex crystallizes in the triclinic space group P1̅, a 13.460(11), b 12.318(5), c 13.842(10) Å, α 82.73(5), β 59.11(5), γ 80.09(5)°, and Z = 1.

Inorganic Chemistry published new progress about Crystal structure. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Computed Properties of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Parker, Ariel N.; France, Stefan published the artcile< Completion of the Set: Synthesis of the (6,X′)-Flubromazepam Positional Isomers as Standards for Forensic Analysis>, Computed Properties of 82-73-5, the main research area is forensic synthesis flubromazepam positional isomer standard.

Mounting concern among forensic examiners regarding the emergence of positional isomers as tech. legal alternatives to scheduled benzodiazepines has encouraged the preemptive synthesis of analogs as standards Recently, flubromazepam was identified by the Drug Enforcement Administration for future scheduling, and subsequently, 9 of the 12 possible flubromazepam isomers were synthesized. However, the three (6,X′)-isomers proved inaccessible via that approach. Herein, through a redesigned synthetic approach, the remaining three isomers were obtained, thus completing the set and enabling future forensic anal.

Journal of Organic Chemistry published new progress about Acylation. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Computed Properties of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Fatima, Aysha; Khanum, Ghazala; Sharma, Arun; Garima, Km; Savita, Sandhya; Verma, Indresh; Siddiqui, Nazia; Javed, Saleem published the artcile< Computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on phthalic anhydride>, Name: 4-Bromoisobenzofuran-1,3-dione, the main research area is phthalic anhydride Hirshfeld surface docking.

Phthalic anhydride (PA) was studied spectroscopically by NMR (1H NMR and 13C NMR), FT-IR, UV-Visible and quantum chem. by DFT approach.3D and 2D surface anal. was carried by Hirshfeld surface. B3LYP method and 6-311++G(d,p) basis set were employed for optimization of mol. structure and for calculation of wave numbers of normal modes of vibrations. Detailed description of intermol. interactions of crystal surface was done by 3D Hirshfeld surface anal. and 2D finger print plots. Hirshfeld surface also helps to explore intermol. interactions in PA crystal. Hole and Electron d. distribution maps were drawn in 2 different excited states of higher oscillatory strength with DMSO, MeOH as solvents. Structure was optimized and optimized bond lengths and angles were compared with the exptl. bond lengths and Bond angle Parameters, were found in good agreement with each other. Complete potential energy distribution assignments were done successfully by VEDA and 1H NMR and 13C NMR shifts were estimated by GIAO method and results were compared with exptl. spectra. TDDFT method and PCM solvent model was utilized for electronic property anal. such as UV-Vis (in gas phase, ethanol and DMSO) and compared with the exptl. UV-Vis spectra. The HOMO/LUMO energy results emphasize adequate charge transfer is happened within the mol. Study of donor-acceptor interconnections were done via NBO anal. MEP surface anal. was done to demonstrate charge distribution in mol. The degree of relative localization of electrons was analyzed via FLF Diagram. The Fukui function anal. give information regarding possible sites for attacks by different substituents. Mol. electrostatic potential (MEP) surface was drawn for anal. of reactive sites via 3-D color representation. The biol. study such as mol. docking was done with 6 different receptors to find the best ligand protein interactions and drug likeness was also carried out and found drug like character.

Journal of Molecular Structure published new progress about Atomic charge. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Name: 4-Bromoisobenzofuran-1,3-dione.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Pelissier, C.; Alexandru, A. published the artcile< Resonance parameters of the rho-meson from asymmetrical lattices>, Quality Control of 82-73-5, the main research area is resonance parameter rho meson asym lattice QCD.

We present a lattice QCD calculation of the parameters of the ρ meson decay. The study is carried out on spatially asym. boxes using nHYP-smeared clover fermions with two mass-degenerate quark flavors. Our calculations are carried out at a pion mass mπ = 304(2) MeV on the set of lattices V = 242 × η24 × 48 with η = 1.0, 1.25, and 2.0 with lattice spacing a = 0.1255(7) fm. The resonance mass mρ = 827(3)(5) MeV and coupling constant gρππ = 6.67(42) are calculated using the P-wave scattering phase shifts. We construct a 2 × 2 correlation matrix to extract the energy of the scattering states and compute the phase shifts using the finite volume formula. By varying the degree of asymmetry, we are able to compute a set of phase shifts that are evenly distributed throughout the spectral region where the ρ decays.

Physical Review D: Particles, Fields, Gravitation, and Cosmology published new progress about Lattice QCD. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Quality Control of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Orita, Ryoji; Franckevicius, Marius; Vysniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji published the artcile< Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups>, Category: bromides-buliding-blocks, the main research area is phthalimide derivative preparation crystal structure fluorescene property.

Due to their high thermal and environmental stability, polyimides (PIs) are one of the most attractive candidates for novel highly fluorescent polymers, though photophys. studies of PIs are challenging owing to their poor solubility in common solvents. To overcome these problems, we have synthesized and examined a series of low mol. weight model imide compounds: substituted N-cyclohexylphthalimides with alicyclic amino groups at the 3 or 4-positions of the benzene rings (x-NHPIs). Their photophys. properties were systematically investigated by steady-state UV/Visible absorption, fluorescence, and time-resolved fluorescence techniques. In solution, unsubstituted N-cyclohexylphthalimide (NHPI) showed almost no emission, while x-NHPIs exhibited enhanced fluorescence emission depending on the solvent polarity. Anal. of the solvatochromism of the x-NHPIs via Lippert-Mataga plots indicated the generation of large dipole moments in the excited singlet states originating from the intramol. charge-transfer (ICT) states. The significant difference in the fluorescence quantum yields (Φ) between the 3-substituted (3Pi and 3Pyr) and 4-substituted NHPIs (4Pi and 4Pyr) strongly suggests that the former form a twisted ICT (TICT) state, whereas the latter form a planar ICT (PICT) state when excited. 4-Substituted NHPIs also show high fluorescence yields in the crystalline state. A particularly large Φ value was obtained for the 4Pi crystal, which we explain by the large intermol. distances and the arrangement of mols. minimizing intermol. interactions as well as the small non-radiative deactivation rate. These facts clearly demonstrate that the introduction of an alicyclic amino group into NHPI at the 4-position enhances the fluorescence quantum yields significantly, which suggests a new pathway for the development of novel, highly fluorescent PIs.

Physical Chemistry Chemical Physics published new progress about Bond angle, dihedral. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Tohnishi, Masanori; Nakao, Hayami; Furuya, Takashi; Seo, Akira; Kodama, Hiroki; Tsubata, Kenji; Fujioka, Shinsuke; Kodama, Hiroshi; Hirooka, Takashi; Nishimatsu, Tetsuyoshi published the artcile< Flubendiamide, a novel insecticide highly active against lepidopterous insect pests>, Reference of 82-73-5, the main research area is flubendiamide preparation insecticide lepidoptericide; heptafluoroisopropylanilide preparation insecticide lepidoptericide; benzenedicarboxamide derivative preparation insecticide lepidoptericide structure activity relationship.

Flubendiamide, N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzenedicarboxamide I, is a representative of a novel class of insecticides having a unique chem. structure. The uniqueness of the structure resulted from three parts with novel substituents: a heptafluoroisopropyl group in the anilide moiety, a sulfonylalkyl group in the aliphatic amide moiety, and an iodine atom at the 3-position of the phthalic acid moiety. The compound showed extremely strong insecticidal activity especially against lepidopterous pests including resistant strains. Flubendiamide would have a novel mode of action, because the insecticidal symptoms accompanied by a discriminative contraction of the larval body are distinguished from those of com. insecticides. It was also very safe for non-target organisms. Flubendiamide is expected to be a suitable agent for controlling lepidopterous insects as part of the insect resistance management and the integrated pest management programs.

Journal of Pesticide Science (Tokyo, Japan) published new progress about Adoxophyes honmai. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Reference of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhou, Sha; Yan, Tao; Li, Yuxin; Jia, Zhehui; Wang, Baolei; Zhao, Yu; Qiao, Yuanyuan; Xiong, Lixia; Li, Yongqiang; Li, Zhengming published the artcile< Novel phthalamides containing sulfiliminyl moieties and derivatives as potential ryanodine receptor modulators>, Category: bromides-buliding-blocks, the main research area is phthalamide sulfiliminyl derivative ryanodine receptor modulator Pseudaletia Plutella.

To tackle the serious challenge of insect resistance and stricter environmental regulations, innovating a new eco-friendly insecticide is urgently required. A series of new phthalamides containing sulfiliminyl and sulfoximinyl moieties were designed and synthesized. In total, 30 new structures were characterized by 1H NMR spectra and HRMS. The bioassay results indicated that some title compounds exhibited excellent insecticidal activities against oriental armyworm (Pseudaletia separata Walker) and diamondback moth (Plutella xylostella (L.)). 3-Iodo-N2-[1-(N-cyano-S-methylsulfinimidoyl)-2-methylpropa-2-yl]-N1-[2-methyl-4-(perfluoropropan-2-yl)phenyl]phthalamide (I) showed the same larvicidal level as that of com. flubendiamide as a control. N2-[1-(N-Cyano-S-methylsulfonimidoyl)-2-methylpropan-2-yl]-3-iodo-N1-[2-methyl-4-(perfluoropropan-2-yl)phenyl]phthalamide (II) and 3-Iodo-N2-[2-methyl-1-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]propan-2-yl]-N1-[2-methyl-4-(perfluoropropan-2-yl)phenyl]phthalamide (III) exhibited outstanding activity against diamondback moth. The LC50 values of II and III were 8.33 × 10-8 and 2.34 × 10-8 mg L-1, resp., lower than that of flubendiamide (1.25 × 10-7 mg L-1). The effects of I, II and III on intracellular calcium of neurons from the beet armyworm (Spodoptera exigua) indicated that these title compounds activate the receptor-operated calcium channel. The calcium ions efflux from the calcium store on endoplasmic reticulum (ER) when treated with novel compounds The results of CoMFA calculation showed that N-cyanosulfilimines and N-trifluoroacetylsulfoximines might be of importance to the larvicidal activity. The present work demonstrated that structures containing sulfiliminyl and sulfoximinyl moieties can be considered as lead compounds for the development of new insect ryanodine receptor modulators.

Organic & Biomolecular Chemistry published new progress about Calcium channels Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Buckle, Derek R.; Morgan, Neil J.; Ross, Janet W.; Smith, Harry; Spicer, Barbara A. published the artcile< Antiallergic activity of 2-nitroindan-1,3-diones>, Application In Synthesis of 82-73-5, the main research area is nitro indandione antiallergic.

Of 26 2-nitroindan-1,3-diones prepared, 2-nitroindan-1,3-dione (I) [3674-33-7] showed an activity close to that of disodium cromoglycate [15826-37-6] while 5,6-dimethyl-2-nitroindan-1,3-dione (II) [49561-92-4] and 2-nitrobenz[f]indan-1,3-dione (III) [49561-93-5] showed a marked increase in antiallergic activity as measured by the homocytotropic antibody-antigen induced passive cutaneous anaphylaxis reaction in the rat. The prepn of the 1,3-indandione nucleus was achieved by 3 routes, all procedures necessitating the appropriately substituted phthalate precursors which were obtained through a variety of synthetic methods.

Journal of Medicinal Chemistry published new progress about Antihistamines. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Application In Synthesis of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wolff, Oliver; Waldvogel, Siegfried R. published the artcile< 3-substituted phthalic acid derivatives by Sonogashira coupling reaction>, Computed Properties of 82-73-5, the main research area is phthalic acid substituted preparation Sonogashira coupling reaction.

Phthalic acid derivatives with carbon substituents in position 3 are easily accessible by Sonogashira coupling reaction of the corresponding bromo derivative For reasonable conversions the phthaloyl moiety is masked as the N-phenylphthalimide, which can smoothly be converted into other phthalic acid derivatives For example, stirring 3-bromo-N-phenylphthalimide with oct-1-yne in DMF in the presence of Et3N, CuI, and bis(triphenylphosphine)palladium dichloride at 80° for 16 h gave 91% 3-(oct-1-ynyl)-N-phthalimide.

Synthesis published new progress about Alkynes Role: RCT (Reactant), RACT (Reactant or Reagent). 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Computed Properties of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary