Month: November 2022

Gokalp, Faik published the artcileTheoretical study of synthesis of 1,3-dibromonaphthanlene, Quality Control of 52358-73-3, the publication is Journal of the Chemical Society of Pakistan (2018), 40(6), 1089-1092, database is CAplus.

Naphthalene derivatives have been attracted the interest for synthesis of natural products having biol. properties. Elimination reaction of tetrabromonaphthalene (1) resulted in the formation of 1,3-dibromonaphthalene (2) rather than 1,4-dibomonaphthalene (3). This phenomenon was explained by theor. investigation. The phys. properties and optimization of tetrabromonaphthalene (1), 1,3-dibromonaphthalene (2) and 1,4-dibromonaphthalene (3) were evaluated by B3lyp/6-31+G(d,p) method. Due to the HOMO-LUMO gap of 1,3-dibromonaphthalene (2) was higher than that of the 1,4-dibomonaphthalene (3), the formation of 1,3-dibromonaphthalene (2) was favorable. Moreover, Higher dipole moment of 1,3-dibromonaphthalene (2) than 1,4-dibomonaphthalene (3) supported the synthesis of 1,3-dibromonaphthalene (2) properly.

Journal of the Chemical Society of Pakistan published new progress about 52358-73-3. 52358-73-3 belongs to bromides-buliding-blocks, auxiliary class Bromide,Naphthalene, name is 1,3-Dibromonaphthalene, and the molecular formula is C10H6Br2, Quality Control of 52358-73-3.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Demirtas, Ibrahim published the artcileSynthetic route to 1,3-disubstituted naphthalene derivatives, Synthetic Route of 52358-73-3, the publication is Journal of Chemical Research, Synopses (2002), 524-526, database is CAplus.

The preparation of methoxy- and cyanonaphthalene derivatives is described. The preparation of 1,3-dimethoxynaphthalene, 1-bromo-3-methoxynaphthalene, 1-methoxy-3-bromonaphthalene and 1,3-dicyanonaphthalene involves the reaction of 1,3-dibromonaphthalene with the corresponding nucleophile.

Journal of Chemical Research, Synopses published new progress about 52358-73-3. 52358-73-3 belongs to bromides-buliding-blocks, auxiliary class Bromide,Naphthalene, name is 1,3-Dibromonaphthalene, and the molecular formula is C10H6Br2, Synthetic Route of 52358-73-3.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Herberich, Gerhard E. published the artcileBis(boryl)metallocenes. 2. Syntheses of 1,1′-Bis(boryl)cobaltocenium Complexes, Name: Cobalt(II) dibromo(1,2-dimethoxyethane), the publication is Organometallics (1998), 17(22), 4769-4775, database is CAplus.

Bis(boryl)cobaltocenes Co(C₅H₄BR₂)₂ (1) can be made from CoBr₂(DME) and alkali metal borylcyclopentadienides M(C₅H₄BR₂) (M = Li, Na) (2). The two dialkylamino compounds 1c (R = NMe₂) and 1d (R = NEt₂) can be obtained in this way. Oxidation with C₂Cl₆ provides the ionic cobaltocenium chlorides (1c)Cl and (1d)Cl. Further cobaltocenium compounds can be synthesized by modification of the substituents at B. Treatment of (1d)Cl with excess BCl₃ affords the highly reactive chloride Co(C₅H₄BCl₂)(C₅H₄BCl₃) (5). Pinacolysis of 5 then affords the monosubstitution product Co[C₅H₄B(OCMe₂)₂](C₅H₄BCl₃) (9) and the disubstitution product [Co{C₅H₄B(OCMe₂)₂}₂]Cl [(1h)Cl], resp., depending on stoichiometry and reaction conditions. Reaction of 5 with tetramethyltin replaces two Cl atoms with Me groups to give Co(C₅H₄BMe₂)(C₅H₄BCl₃) (10), while the more reactive trimethylaluminum replaces four Cl substituents to give [Co(C₅H₄BMe₂)₂]AlCl₄ [(1b)AlCl₄] and, after metathesis with NBu₄PF₆ in CH₂Cl₂, the more convenient hexafluorophosphate (1b)PF₆. The corresponding cobaltocene 1b is then accessible via conventional amalgam reduction of (1b)AlCl₄. Reaction of 5 with com. AsF₃ affords the robust inverse chelate Co(C₅H₄BF₂)₂(μ-OH) (11). Three structural types are encountered for the cobaltocenium derivatives: (i) ionic compounds (type A) such as (1c,d,h)Cl, (1b)AlCl₄, and (1b)PF₆; (ii) zwitterionic or semiquaternized compounds (type B) with one trigonal and one tetrahedral B center such as 5, 9, and 10; of these, 5 is fluxional in solution with two effectively equivalent ligands while 9 and 10 display static structures; and (iii) the inverse chelate structure of 11 (type C) which is found in the crystal and in solution The crystal and mol. structures of 11 were determined by x-ray crystallog.

Organometallics published new progress about 18346-57-1. 18346-57-1 belongs to bromides-buliding-blocks, auxiliary class Cobalt, name is Cobalt(II) dibromo(1,2-dimethoxyethane), and the molecular formula is C4H10Br2CoO2, Name: Cobalt(II) dibromo(1,2-dimethoxyethane).

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

El-Tabei, A. S. published the artcileNewly imine-azo dicationic amphiphilic for corrosion and sulfate-reducing bacteria inhibition in petroleum processes: Laboratory and theoretical studies, Formula: C12H25Br, the publication is Applied Surface Science (2022), 151531, database is CAplus.

Oil and gas process faces a large dilemma during the acidizing job. So, dicationic surfactant namely; 1-dodecyl-3-((E)-(4-(((E)-(1-dodecylpyridin-1-ium-4-yl) methylene)amino)-2-hydroxyphenyl) diazenyl)pyridin-1-iumdibromide (SDCAC) was synthesized. Spectroscopic and CHN elemental anal. studies confirmed the SDCAC structure. SDCAC has Surface active properties. The anticorrosion performance of SDCAC for carbon steel (CS) in 1.0 M HCl has been validated gravimetrically and electrochem. accompanied with surface anal. studies. SDCAC enhances the resistance of CS corrosion by 98%. Tafel data classify SDCAC as a hybrid anticorrosive substance. Adsorption of SDCAC is more fitted to the Langmuir adsorption isotherm model. Theor. indexes of SDCAC affirm its tendency toward adsorption. The activity of SDCAC against sulfate reducing bacteria (SRB) has been examined and promising outcomes have been achieved. According to the findings of this investigation, the SDCAC can reduce SRB growth from 10⁷ to10² cell/mL.

Applied Surface Science published new progress about 143-15-7. 143-15-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromododecane, and the molecular formula is C12H25Br, Formula: C12H25Br.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Nhari, Laila M. published the artcilePhenothiazine-based dyes containing imidazole with π-linkers of benzene, furan and thiophene: Synthesis, photophysical, electrochemical and computational investigation, Quality Control of 111-83-1, the publication is Journal of Molecular Structure (2022), 131959, database is CAplus.

Three newly designed phenothiazine-based dyes were synthesized in good yield by introducing 1,4,5-tri-Ph imidazole to phenothiazine skeleton linked to benzene, furan or thiophene π-linkers and connected with cyanoacrylic acid acceptor as the anchoring, resp. UV-vis absorption and fluorescence properties of phenothiazine-based dyes were studied in different solvents. Among π-linkers, furan revealed the highest red shift of absorption, followed by thiophene and benzene. The dyes show intense visible absorption with high molar absorptivity; hence good light-harvesting dyes when used as sensitizers. The cyclic voltammetry data revealed that the HOMO energy levels of phenothiazine-based dyes were 5.36 eV for dye I and 5.42 eV for dyes II and III. Also, the energy LUMO levels of phenothiazine-based dyes were -3.10, -3.21, and -3.26 eV for phenothiazine-based dyes, resp. Such well-matched energy levels of these dyes with those reported sensitizers would pave the way for their use in photovoltaic devices. Furthermore, these dyes were investigated by D. Functional Theory (DFT) and time-dependent TD-DFT to explore their potential as efficient dyes in photovoltaic devices. The geometrical structures, optoelectronic properties and charge transfer of these dyes were investigated. The results indicate that the phenothiazine-based dyes have a small energy gap, absorption in the visible and higher oscillator strength. The modification of Ph, furan and thiophene suggests that these dyes could be effective for dye-sensitized solar cells (DSSCs).

Journal of Molecular Structure published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C8H17Br, Quality Control of 111-83-1.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Abdo, Nabiha I. published the artcilePalladium-Catalyzed Direct C-H Arylation of Thieno[3,4-b]pyrazines: Synthesis of Advanced Oligomeric and Polymeric Materials, COA of Formula: C4Br2N2O4S, the publication is European Journal of Organic Chemistry (2012), 2012(28), 5540-5551, S5540/1-S5540/37, database is CAplus.

The first examples are reported of an efficient direct regioselective direct C-H arylation of thieno[3,4-b]pyrazine (TP) and its 2,3-di-Me derivative with bromoalkylthiophenes (BATs), under Heck exptl. conditions using Pd(OAc)₂/Bu₄NBr as the catalytic system, giving rise to a variety of valuable aryl-substituted thienopyrazines. The obtained results suggested that the 2-position of the TP moiety is less reactive towards C-H arylation than the 5- and 7-positions. Moreover, the 3-position of the TP moiety showed almost no significant reactivity when all other positions were arylated. The C-H arylation of 2,3-dimethyl-TP with an excess amount of BATs proceeded smoothly, affording the corresponding diarylated thienopyrazine derivatives in excellent yields, without any addnl. products. Compared to usual cross-coupling reactions, the present synthetic methodol. has been used to prepare interesting donor-acceptor π-conjugated polymeric materials in a facial manner in a simple way. Microwave-assisted polymerization proved to be efficient for obtaining reasonable mol. weight copolymers ranging from 18.8 to 24.3 kg mol^-1. Incorporating the thienopyrazine unit into polyhexylthiophene chains affected the photophys. and electrochem. properties. The optical band gaps were estimated to be in the range of 1.63-1.06 eV. All copolymers exhibited a diffraction peak at around 2θ = 5.72° corresponding to a d spacing of 15.43 Å, which was assigned to an interchain spacing between polymer main chains similar to that found in P3HT. Moreover, a peak around 2θ = 23.09 (3.84 Å) was also observed and is believed to be related to π-π stacking of the polymer backbones.

European Journal of Organic Chemistry published new progress about 52431-30-8. 52431-30-8 belongs to bromides-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 2,5-Dibromo-3,4-dinitrothiophene, and the molecular formula is C4Br2N2O4S, COA of Formula: C4Br2N2O4S.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Szabo, Gyorgy published the artcileMultiparameter Optimization of Naphthyridine Derivatives as Selective α5-GABA_A Receptor Negative Allosteric Modulators, Name: 2-Bromoethyl Methyl Sulfone, the publication is Journal of Medicinal Chemistry (2022), 65(11), 7876-7895, database is CAplus and MEDLINE.

The discovery and characterization of novel naphthyridine derivatives with selective α5-GABA_AR neg. allosteric modulator (NAM) activity are disclosed. Utilizing a scaffold-hopping strategy, fused [6 + 6] bicyclic scaffolds were designed and synthesized. Among these, 1,6-naphthyridinones were identified as potent and selective α5-GABA_AR NAMs with metabolic stability, cardiac safety, and beneficial intellectual property (IP) issues. Relocation of the oxo acceptor function and subsequent modulation of the physicochem. properties resulted in novel 1,6-naphthyridines with improved profile, combining good potency, selectivity, ADME, and safety properties. Besides this, compound 20 (I), having the most balanced profile, provided in vivo proof of concept (POC) for the new scaffold in two animal models of cognitive impairment associated with schizophrenia (CIAS).

Journal of Medicinal Chemistry published new progress about 16523-02-7. 16523-02-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Sulfone,Aliphatic hydrocarbon chain, name is 2-Bromoethyl Methyl Sulfone, and the molecular formula is C8H11NO, Name: 2-Bromoethyl Methyl Sulfone.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Donzel, Maxime published the artcileBioinspired Photoredox Benzylation of Quinones, Product Details of C7H5Br2F, the publication is Journal of Organic Chemistry (2021), 86(15), 10055-10066, database is CAplus and MEDLINE.

3-Benzylmenadiones were obtained in good yield by using a blue-light-induced photoredox process in the presence of Fe(III), oxygen, and γ-terpinene acting as a hydrogen-atom transfer agent. This methodol. is compatible with a wide variety of diversely substituted 1,4-naphthoquinones as well as various cheap, readily available benzyl bromides with excellent functional group tolerance. The benzylation mechanism was investigated and supports a three-step radical cascade with the key involvement of the photogenerated superoxide anion radical.

Journal of Organic Chemistry published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C7H5Br2F, Product Details of C7H5Br2F.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Zerbe, Jerzy published the artcileA fast manual method for determination of anionic surfactants in water samples, Product Details of C20H18BrN3, the publication is Chemia Analityczna (Warsaw) (2000), 45(4), 595-599, database is CAplus.

Results of investigation on the determination of anionic surfactants (AS) in water samples by means of color reaction based on the reaction of AS with mixed indicator dimidium bromide-disulfine blue and spectrophotometric measurements of the absorbance at 525 nm are presented. In properly selected anal. conditions limits of AS detection in the procedure is 0.07 mg l^-1. This enables the use of the method in monitoring or quality control of the natural and drinking water.

Chemia Analityczna (Warsaw) published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C13H15NO6S, Product Details of C20H18BrN3.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

El-Tabei, A. S. published the artcileNewly synthesized quaternary ammonium bis-cationic surfactant utilized for mitigation of carbon steel acidic corrosion; theoretical and experimental investigations, Application In Synthesis of 143-15-7, the publication is Journal of Molecular Structure (2022), 133063, database is CAplus.

New quaternary ammonium bis-cationic surfactant namely; 4,4′-(((1Z,5Z)-pentane-1,5-diylidene)bis(azaneylylidene))bis(1-dodecyl-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-ium bromide) (QABCS) was synthesized and characterized via various spectral techniques. Surface tension measurements were performed for the investigation of surface-active parameters. QABCS’s effectiveness as a corrosion inhibitor for carbon steel (CS) in 1.0 M HCl was evaluated using a variety of techniques. Inhibition potency progresses via rising QABCS dose while decreases with the temperature increasing. QABCS boosts the impedance of CS corrosion via 94.67% at 1 × 10^-3 M. In addition, QABCS adsorption is consistent with Langmuir dsorption isotherm model. QABCS regards a mixed-type inhibitor. The explanation of d.-functional theory (DFT) and Monte Carlo (MC) findings shows that the QABCS compound has a high adsorption potential on CS surface due to active centers in the QABCS’ mol. structure. According to the scanning electron microscope (SEM) and at. force microscope (AFM) findings, QABCS creates a shielding layer over carbon steel substrate. Theor. discussions, as well as SEM and AFM findings, are compatible with laboratory corrosion assessment studies.

Journal of Molecular Structure published new progress about 143-15-7. 143-15-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromododecane, and the molecular formula is C12H25Br, Application In Synthesis of 143-15-7.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary