Category: bromides-buliding-blocks

Yamato, Takehiko published the artcileMedium-sized cyclophanes. Part 57. Synthesis, conformations and stereodynamics of [2.n]metacyclophan-1-enes and their conversion to [2.n]metacyclophan-1-ynes, Application In Synthesis of 111865-47-5, the publication is New Journal of Chemistry (2001), 25(5), 728-736, database is CAplus.

Anti- and syn-[2.8]Metacyclophan-1-enes I, which are both conformationally rigid structures, were prepared in good yields by a McMurry cyclization of 1,8-bis(5-tert-butyl-3-formyl-2-methoxyphenyl)octane. Similarly, McMurry cyclization of 1,10-bis(5-tert-butyl-2-methoxy-3-formylphenyl)decane afforded (E)- and (Z)-[2.10]-metacyclophan-1-enes II in good yields. The assignment of the E and Z structures was confirmed by ¹H-NMR analyses and single crystal X-ray diffraction studies. Bromination of (E)- and (Z)-II with benzyltrimethyl- ammonium tribromide affords exclusively the cis-adduct to the bridged double bond. When treated with potassium tert-butoxide in refluxing tert-BuOH at 80°C for 3 h, the bromine meso adduct gave the dehydrobrominated product [2.10]metacyclophan-1-yne in 93% yield, along with a 1-bromo[2.10]metacyclophan-1-ene in 7% yield; the same reaction with the dl-bromine adduct from II gave 29% of [2.10]metacyclophan-1-yne along with 71% of the 1-bromo[2.10]metacyclophan-1-ene. Similarly, anti- and syn-[2.8]metacyclophan-1-ynes were also prepared by bromination of syn-[2.n]metacyclophan-1-ene syn-I, followed by the dehydrobromination of the bromine adduct. The characterization and the reaction pathway of these products are discussed. The dynamics of the ring inversion and UV spectra are also presented.

New Journal of Chemistry published new progress about 111865-47-5. 111865-47-5 belongs to bromides-buliding-blocks, auxiliary class Benzenes, name is Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide, and the molecular formula is C5H8N2O, Application In Synthesis of 111865-47-5.

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

Miura, Shotaro published the artcileRapid and efficient synthesis of a novel cholinergic muscarinic M₁ receptor positive allosteric modulator using flash chemistry, Product Details of C7H7BrFN, the publication is Organic & Biomolecular Chemistry (2019), 17(35), 8166-8174, database is CAplus and MEDLINE.

Continuous flow-flash synthesis of a 2-bromobenzaldehyde derivative as a key intermediate of a novel cholinergic muscarinic M₁ pos. allosteric modulator I bearing an isoindolin-1-one ring system as a pharmacophore was achieved using flow microreactors through selective I/Li exchange of 1-bromo-2-iodobenzene derivative with BuLi and subsequent formylation at -40° of the highly reactive 2-bromophenyllithium intermediate using DMF, which was difficult to achieve by a conventional batch process due to the conversion of the highly reactive 2-bromophenyllithium intermediate into benzyne even at -78°. Late-stage cyclization gave the isoindolin-1-one ring system, through reductive amination of 2-bromobenzaldehyde derivative followed by palladium-catalyzed carbonylation with carbon monoxide and intramol. cyclization, efficiently afforded I for its further research and development.

Organic & Biomolecular Chemistry published new progress about 1540204-53-2. 1540204-53-2 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Amine,Benzene, name is 4-Bromo-2-fluoro-3-methylaniline, and the molecular formula is C7H7BrFN, Product Details of C7H7BrFN.

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

Evans, Genevieve L. published the artcileAnthranilate phosphoribosyltransferase: Binding determinants for 5′-phospho-alpha-D-ribosyl-1′-pyrophosphate (PRPP) and the implications for inhibitor design, Synthetic Route of 66197-72-6, the publication is Biochimica et Biophysica Acta, Proteins and Proteomics (2018), 1866(2), 264-274, database is CAplus and MEDLINE.

Phosphoribosyltransferases (PRTs) bind 5′-phospho-α-D-ribosyl-1′-pyrophosphate (PRPP) and transfer its phosphoribosyl group (PRib) to specific nucleophiles. Anthranilate PRT (AnPRT) is a promiscuous PRT that can phosphoribosylate both anthranilate and alternative substrates, and is the only example of a type III PRT. Comparison of the PRPP binding mode in type I, II and III PRTs indicates that AnPRT does not bind PRPP, or nearby metals, in the same conformation as other PRTs. A structure with a stereoisomer of PRPP bound to AnPRT from Mycobacterium tuberculosis (Mtb) suggests a catalytic or post-catalytic state that links PRib movement to metal movement. Crystal structures of Mtb-AnPRT in complex with PRPP and with varying occupancies of the two metal binding sites, complemented by activity assay data, indicate that this type III PRT binds a single metal-coordinated species of PRPP, while an adjacent second metal site can be occupied due to a sep. binding event. A series of compounds were synthesized that included a phosphonate group to probe PRPP binding site. Compounds containing a “bianthranilate”-like moiety are inhibitors with IC₅₀ values of 10-60 μM, and K_i values of 1.3-15 μM. Structures of Mtb-AnPRT in complex with these compounds indicate that their phosphonate moieties are unable to mimic the binding modes of the PRib or pyrophosphate moieties of PRPP. The AnPRT structures presented herein indicated that PRPP binds a surface cleft and becomes enclosed due to re-positioning of two mobile loops.

Biochimica et Biophysica Acta, Proteins and Proteomics published new progress about 66197-72-6. 66197-72-6 belongs to bromides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyl (bromomethyl)phosphonate, and the molecular formula is C5H12BrO3P, Synthetic Route of 66197-72-6.

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

Armstrong, W. W. Jr. published the artcileExperimental control of lime-induced iron chlorosis in trifoliate orange seedlings by soil applications of some iron compounds, HPLC of Formula: 1997-80-4, the publication is J. Rio Grande Valley Hort. Soc. (1956), 43-8, database is CAplus.

cf. Cooper and Peynado, C.A. 49, 7793b. Trifoliate orange (Poncirus trifoliata) seedlings were used as indicator plants in an experiment to determine the effectiveness of several Fe compounds in the treatment of citrus in high-lime soils for lime-induced Fe chlorosis. Soil applications of ground FeSO₄ (I), Fe ethylenediaminetetraacetic acid (II), and Fe N-hydroxyethylethylenediaminetriacetic acid (EDTA) (III) were very effective in preventing chlorosis, while unchelated EDTA was much less effective and Fe-rich fritted glass had no apparent effect. The higher the rate of application of I or II, the more effective was the treatment. Only III exhibited toxicity, a dose equivalent to 0.5 g. Fe/sq. ft. causing wilting and death of the plants.

J. Rio Grande Valley Hort. Soc. published new progress about 1997-80-4. 1997-80-4 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,Benzene, name is 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene, and the molecular formula is C9H8BrF3, HPLC of Formula: 1997-80-4.

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

Hartrampf, Felix W. W. published the artcileA Conia-Ene-Type Cyclization under Basic Conditions Enables an Efficient Synthesis of (-)-Lycoposerramine R, COA of Formula: C7H13BrSi, the publication is Angewandte Chemie, International Edition (2017), 56(3), 893-896, database is CAplus and MEDLINE.

An enantioselective total synthesis of the Lycopodium alkaloid lycoposerramine R (I) is presented. It relies on a base-mediated cyclization that resembles the Conia-ene reaction of ynones and gold-catalyzed variants thereof. Thus, hydrindanones and other functionalized ring systems bearing an exocyclic alkene can be rapidly accessed at room temperature without noble metal catalysis or substrate preactivation.

Angewandte Chemie, International Edition published new progress about 69361-41-7. 69361-41-7 belongs to bromides-buliding-blocks, auxiliary class PROTAC Linker,Aliphatic Linker, name is (4-Bromobut-1-yn-1-yl)trimethylsilane, and the molecular formula is C7H13BrSi, COA of Formula: C7H13BrSi.

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

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

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

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

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