Author: Jessica.F

Lu, Xuefeng published the artcileControlling the Charge Transfer in D-A-D Chromophores Based on Pyrazine Derivatives, SDS of cas: 52431-30-8, the publication is Journal of Organic Chemistry (2014), 79(14), 6480-6489, database is CAplus and MEDLINE.

A series of sym. donor-acceptor-donor (D-A-D) chromophores bearing various electron-withdrawing groups, such as quinoxaline (Qx), benzo[g]quinoxaline (BQ), phenazine (Pz), benzo[b]phenazine (BP), thieno[3,4-b]pyrazine (TP), and thieno[3,4-b]quinoxaline (TQ), was designed and synthesized. Intramol. charge transfer (ICT) interactions can be found for all the chromophores due to the electron-withdrawing properties of the two imine nitrogens in the pyrazine ring and the electron-donating properties of the other two amine nitrogens in the two triphenylamines. Upon the fusion of either benzene or thiophene ring on the pyrazine acceptor unit, the ICT interactions are strengthened, which results in the bathochromically shifted ICT band. Moreover, the thiophene ring is superior to the benzene ring in enlarging the ICT interaction and expanding the absorption spectrum. Typically, when a thiophene ring is fused on the Qx unit in DQxD, a near-IR dye is realized in simple chromophore DTQD, which displays the maximum absorption wavelength at 716 nm with the threshold over 900 nm. This is probably due to the enhanced charge d. on the acceptor moiety and better orbital overlap, as revealed by theor. calculation These results suggest that extending the conjugation of a pyrazine acceptor in an orthogonal direction to the D-A-D backbone can dramatically improve the ICT interactions.

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, SDS of cas: 52431-30-8.

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

Yang, Wenqian published the artcileThe First Fluorescent Diboronic Acid Sensor Specific for Hepatocellular Carcinoma Cells Expressing Sialyl Lewis X, Safety of 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane, the publication is Chemistry & Biology (2004), 11(4), 439-448, database is CAplus and MEDLINE.

Carbohydrate antigens with subterminal fucosylation have been implicated in the development and progression of several cancers, including hepatocellular carcinoma (HCC). Fluorescent sensors targeting fucosylated carbohydrate antigens could potentially be used for diagnostic and other applications. The authors have designed and synthesized a series of 26 diboronic acid compounds as potential fluorescent sensors for such carbohydrates. Among these compounds, 7q was able to fluorescently label cells expressing high levels of sLex (HEPG2) within a concentration range of 0.5 to 10 μM. This compound (7q) did not label cells expressing Lewis Y (HEP3B), nor cells without fucosylated antigens (COS7). This represents the first example of a fluorescent compound labeling cells based on cell surface carbohydrate structures.

Chemistry & Biology published new progress about 166821-88-1. 166821-88-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Boronic acid and ester,Benzyl bromide,Benzene,Boronic Acids,Boronic acid and ester, name is 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane, and the molecular formula is C7H7ClN2, Safety of 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane.

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

Belyaeva, T. N. published the artcileSanguinarine cytotoxicity for transformed mouse fibroblast L-cells in culture, sensitive and resistant to ethidium bromide, as compared to that of some other DNA-complexing agents, Safety of Dimidium bromide, the publication is Tsitologiya (1989), 31(11), 1363-8, database is CAplus.

A natural DNA intercalator, the benzo[c]phenanthridine alkaloid sanguinarine, is more toxic to mouse transformed fibroblast L-cells in culture than the synthetic DNA intercalator ethidium bromide (EtB) and the alkaloid berberine. Dimidium bromide is also an inhibitor of L-cell growth. In assay conditions, growth of L-cells is stopped by 1.5 x 10^-5M sanguinarine. Lebr-625 cells, resistant to 25 μg EtB/mL, have sanguinarine sensitivity close to that of L-cells, but Lebr-625 cells are resistant to dimidium bromide. Sanguinarine is more toxic to L-cells in culture than the anticancer drug cis-Pt(NH₃)₂Cl₂. trans-Pt(NH₃)₂Cl₂ is less toxic to these cells. The strong toxicity of sanguinarine for L- and Lebr-625 cells in culture, as compared to other DNA-complexing drugs, seems to be associated with the wide range of potential cell targets for sanguinarine. Besides the inhibition of nucleic acid metabolism reactions, characteristic of DNA intercalators, and disruption of mitochondrial ATP synthesis, also characteristic of organic heterocyclic cationic DNA intercalators, sanguinarine can modify the SH groups of enzymes including SH-sensitive membrane-bound Na⁺, K⁺-ATPase of cerebral cortex and Ca²⁺-ATPase of skeletal muscle sarcoplasmic reticulum.

Tsitologiya 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 C20H18BrN3, Safety of Dimidium bromide.

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

O’Connell, Kathleen M. published the artcileElectron-transfer reactions and associated conformational changes. Electrochemical reduction of some vicinal dibromides, Computed Properties of 594-81-0, the publication is Journal of the American Chemical Society (1983), 105(6), 1473-81, database is CAplus.

The effect of mol. conformation on the electrochem. reduction of derivatives of trans-1,2-dibromocyclohexane and substituted 1,2-dibromoethanes was studied by low-temperature cyclic voltammetry. Reduction via conformations with antiperiplanar Br atoms is preferred, and conformational interconversion prior to electron transfer was observed in trans-1,2-dibromo- (I) and 1,1-dimethyl-trans-3,4-dibromocyclohexane (II), meso– and dl-Ph(CHBr)₂Ph (meso– and dl–III), and Br(CMe₂)₂Br (IV). Digital simulation of the low-temperature voltammetric data provided thermodn. and kinetic information on the conformational interconversion in I, II, III, and IV. The energy barriers to conformational interconversion in meso– and dl-Me(CHBr)₂Me (meso– and dl–V) are quite small, and conformational effects in the electrochem. reduction of V could not be detected at -135°. 1-Methyl-cis-3,trans-4- (VI) and –trans-3,cis-4-dibromocyclohexane (VII) and meso– and dl-Me₂CH(CHBr)₂CHMe₂ (meso– and dl–VIII) exist almost entirely in a single conformation. Voltammetric peak potentials of VI, VII, and meso– and dl–VIII reflect the geometry of their principal conformation.

Journal of the American Chemical Society published new progress about 594-81-0. 594-81-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 2,3-Dibromo-2,3-dimethylbutane, and the molecular formula is C6H12Br2, Computed Properties of 594-81-0.

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

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