Tag: M.W=350-400

Okamoto, Tsuyoshi published the artcileHalogenation using quaternary ammonium polyhalides. XXXI. Halogenation of thiophene derivatives with benzyltrimethylammonium polyhalides, Quality Control of 111865-47-5, the publication is Bulletin of the Chemical Society of Japan (1991), 64(8), 2566-8, database is CAplus.

The reactions of thiophene derivatives with PhCH₂Me₃N⁺ ICl₄^–, PhCH₂Me₃N⁺ Br₃^–, and PhCH₂Me₃N⁺ ICl₂^– (I) in AcOH or in AcOH-ZnCl₂ under mild conditions gave chloro-, bromo-, and iodo-substituted thiophene derivatives, resp., in satisfactory yields. Thus, 3-methylthiophene was treated with I and ZnCl₂ in AcOH at room temperature to give 92% 2,5-diiodo-3-methylthiophene (II).

Bulletin of the Chemical Society of Japan 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 C10H16Br3N, Quality Control of 111865-47-5.

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

Okamoto, Tsuyoshi published the artcileHalogenation using quaternary ammonium polyhalides. XXIII. Bromination of aromatic amines with polymer-bound benzyltrimethylammonium tribromide, Name: Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide, the publication is Nippon Kagaku Kaishi (1990), 112-14, database is CAplus.

Bromo-substituted aromatic amines were obtained quant. by passing a solution of aromatic amines in dichloromethane-methanol through a column packed with styrene polymer-bound benzyltrimethylammonium tribromide. E.g., 2,4,6-tribromoaniline (I) was obtained in 99% yield from aniline.

Nippon Kagaku Kaishi 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 C10H16Br3N, Name: Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide.

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

Nganga, Joseph B. published the artcileDibromorhodamine-based photoredox catalysis under visible light for the colorimetric detection of Hg(II) ion, COA of Formula: C20H18BrN3, the publication is Bulletin of the Korean Chemical Society (2022), 43(7), 946-950, database is CAplus.

We demonstrated a colorimetric readout of Hg(II) ion through visible-light-induced polymerization, initiated by an Hg(II)-responsive photoredox initiator/catalyst under aerobic conditions. Thiosemicarbazide-functionalized 4â€?5â€?dibromorhodamine was synthesized as a stimuli-responsive photoredox catalyst. The rhodamine derivatives bearing thiosemicarbazide have been known as fluorogenic probes of Hg(II) ion with excellent sensitivity and selectivity. In this work, we incorporated a heavy halogen atom (i.e., Br) onto the xanthene core ring of the rhodamine derivative to improve the photoredox catalytic performance of rhodamine 6G, which exhibits a low catalytic performance, presumably due to the poor quantum yield of intersystem crossing. Thus, this photoredox catalyst led to the formation of a hydrogel with Hg(II) ion in a concentration of 10 μM, as the catalyst initiated free-radical polymerization of poly(ethylene glycol) diacrylate and N-vinylpyrrolidone with triethanolamine under visible light for 1 min.

Bulletin of the Korean Chemical Society 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, COA of Formula: C20H18BrN3.

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

Ploypradith, Poonsakdi published the artcileUtility of Polymer-Supported Reagents in the Total Synthesis of Lamellarins, Related Products of bromides-buliding-blocks, the publication is Journal of Organic Chemistry (2005), 70(13), 5119-5125, database is CAplus and MEDLINE.

Four solid-supported reagents have been utilized in the multistep synthesis of lamellarins. The use of Amberlyst A-26 Br₃^– and polymer bound pyridine hydrobromide perbromide (PVPHP) for keto α-bromination of the less studied ortho-substituted acetophenone derivatives selectively furnished the corresponding monobromination products (phenacyl bromide derivatives), which were used directly in condensation reactions with benzyldihydroisoquinoline mediated by Amberlyst A-26 NaCO₃^–. The 2H-pyrrole carbonates subsequently underwent intramol. Friedel-Crafts transacylation followed by lactonization to provide the lamellarin skeleton (e.g. I). Alternatively, Amberlyst A-26 NaCO₃^– effectively served as base in condensation reaction of benzyldihydroisoquinoline with α-nitrocinnamate derivatives to provide the corresponding 2-ethoxycarbonyl pyrroles, which smoothly underwent O-debenzylation reaction followed by lactonization to furnish the lamellarin skeleton. The novel Amberlyst-15 mediated lactonization reactions effectively combined the otherwise two sep. steps into a single transformation.

Journal of Organic 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 C10H16Br3N, Related Products of bromides-buliding-blocks.

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

Kajigaeshi, Shoji published the artcileBromination and oxidation with benzyltrimethylammonium tribromide, Computed Properties of 111865-47-5, the publication is Industrial Chemistry Library (1995), 29-48, database is CAplus.

A review with 42 references Our recent studies on effective bromination and oxidation using benzyltrimethylammonium tribromide (BTMA Br₃), stable solid, are described. Those involve electrophilic bromination of aromatic compounds such as phenols, aromatic amines, aromatic ethers, acetanilides, arenes, and thiophene, α-bromination of arenes and acetophenones, and also bromo-addition to alkenes by the use of BTMA Br₃. Furthermore, oxidation of alcs., ethers, 1,4-benzenediols, hindered phenols, primary amines, hydrazo compounds, sulfides, and thiols, haloform reaction of Me ketones, N-bromination of amides, Hofmann degradation of amides, and preparation of acylureas and carbamates by the use of BTMA Br₃ are also presented.

Industrial Chemistry Library 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 C10H16Br3N, Computed Properties of 111865-47-5.

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

Kajigaeshi, Shoji published the artcileHalogenation and oxidation with benzyltrimethylammonium polyhalides, Safety of Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide, the publication is Yuki Gosei Kagaku Kyokaishi (1993), 51(5), 366-76, database is CAplus.

A review with 55 references on preparations and properties of PhCH₂NMe₃Br₃, PhCH₂NMe₃ICl₂, and PhCH₂NMe₃ICl₄ and electrophilic halogen substitution (bromination, iodination, and chlorination) of aromatic compounds, halogen-addition of alkenes, oxidation, haloform reaction of Me ketones, and Hofmann degradation of amides by the use of the benzyltrimethylammonium polyhalides.

Yuki Gosei Kagaku Kyokaishi 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 C10H16Br3N, Safety of Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide.

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

Kajigaeshi, Shoji published the artcileA convenient haloform reaction using benzyltrimethylammonium tribromide, SDS of cas: 111865-47-5, the publication is Chemistry Express (1989), 4(3), 177-80, database is CAplus.

The reaction of Me ketones with a calculated amount of benzyltrimethylammonium tribromide in aqueous NaOH at room temperature and subsequent acid hydrolysis gave carboxylic acids in good yields along with bromoform.

Chemistry Express 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 C10H16Br3N, SDS of cas: 111865-47-5.

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

Akther, Thamina published the artcileSynthesis and Structures of [2.n]Metacyclophan-1-enes and their Conversion to Highly Strained [2.n]Metacyclophane-1-ynes, COA of Formula: C10H16Br3N, the publication is European Journal of Organic Chemistry (2020), 2020(27), 4167-4175, database is CAplus.

The syntheses of syn-[2.n]metacyclophan-1-enes (n = 5, 6, 8) in good yields using the McMurry cyclization of 1,n-bis(3-formyl-4-methoxyphenyl)alkanes are reported. Conversion of syn-[2.6]- and [2.8]metacyclophan-1-enes to the corresponding highly strained syn-type [2.6]- and [2.8]metacyclophane-1-ynes was achieved by successive bromination and dehydrobromination reactions. An attempted trapping reaction of the putative corresponding [2.5]metacyclophane-1-yne by Diels-Alder reaction with 1,3-diphenylisobenzofuran failed due to its smaller ring size and strained structure. X-ray crystallog. analyses show that the triple bonds in syn-[2.6]- and [2.8]metacyclophane-1-ynes are distorted from linearity with bond angles of 156.7° and 161.4°, resp. A DFT (D. Functional Theory) computational study was conducted to determine the stabilities of different conformations of the target compounds

European Journal of Organic 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 C10H16Br3N, COA of Formula: C10H16Br3N.

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

Marrero-Ponce, Yovani published the artcileLigand-Based Virtual Screening and in Silico Design of New Antimalarial Compounds Using Nonstochastic and Stochastic Total and Atom-Type Quadratic Maps, Recommanded Product: Dimidium bromide, the publication is Journal of Chemical Information and Modeling (2005), 45(4), 1082-1100, database is CAplus and MEDLINE.

Malaria has been one of the most significant public health problems for centuries. It affects many tropical and subtropical regions of the world. The increasing resistance of Plasmodium spp. to existing therapies has heightened alarms about malaria in the international health community. Nowadays, there is a pressing need for identifying and developing new drug-based antimalarial therapies. In an effort to overcome this problem, the main purpose of this study is to develop simple linear discriminant-based quant. structure-activity relation (QSAR) models for the classification and prediction of antimalarial activity using some of the TOMOCOMD-CARDD (TOpol. Mol. COMputer Design-Computer Aided “Rational” Drug Design) fingerprints, to enable computational screening from virtual combinatorial datasets. In this sense, a database of 1562 organic chems. having great structural variability, 597 of them antimalarial agents and 965 compounds having other clin. uses, was analyzed and presented as a helpful tool, not only for theor. chemists but also for other researchers in this area. This series of compounds was processed by a k-means cluster anal. to design training and predicting sets. Afterward, two linear classification functions were derived to discriminate between antimalarial and nonantimalarial compounds The models (including nonstochastic and stochastic indexes) correctly classify more than 93% of the compound set, in both training and external prediction datasets. They showed high Matthews’ correlation coefficients, 0.889 and 0.866 for the training set and 0.855 and 0.857 for the test one. The models’ predictivity was also assessed and validated by the random removal of 10% of the compounds to form a new test set, for which predictions were made using the models. The overall means of the correct classification for this process (leave group 10% full-out cross validation) using the equations with nonstochastic and stochastic atom-based quadratic fingerprints were 93.93% and 92.77%, resp. The quadratic maps-based TOMOCOMD-CARDD approach implemented in this work was successfully compared with four of the most useful models for antimalarials selection reported to date. The developed models were then used in a simulation of a virtual search for Ras FTase (FTase = farnesyltransferase) inhibitors with antimalarial activity; 70% and 100% of the 10 inhibitors used in this virtual search were correctly classified, showing the ability of the models to identify new lead antimalarials. Finally, these two QSAR models were used in the identification of previously unknown antimalarials. In this sense, three synthetic intermediaries of quinolinic compounds were evaluated as active/inactive ones using the developed models. The synthesis and biol. evaluation of these chems. against two malaria strains, using chloroquine as a reference, was performed. An accuracy of 100% with the theor. predictions was observed Compound 3 showed antimalarial activity, being the first report of an arylaminomethylenemalonate having such behavior. This result opens a door to a virtual study considering a higher variability of the structural core already evaluated, as well as of other chems. not included in this study. We conclude that the approach described here seems to be a promising QSAR tool for the mol. discovery of novel classes of antimalarial drugs, which may meet the dual challenges posed by drug-resistant parasites and the rapid progression of malaria illnesses.

Journal of Chemical Information and Modeling 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, Recommanded Product: Dimidium bromide.

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

Williams, Sierra J. published the artcileOrthogonal bioluminescent probes from disubstituted luciferins, COA of Formula: C10H16Br3N, the publication is Biochemistry (2021), 60(8), 563-572, database is CAplus and MEDLINE.

Bioluminescence imaging with luciferase-luciferin pairs is routinely used to monitor cellular functions. Multiple targets can be visualized in tandem using luciferases that process unique substrates, but only a handful of such orthogonal probes are known. Multiplexed studies require addnl. robust, light-emitting mols. In this work, we report new luciferins for orthogonal imaging that comprise disubstituted cores. These probes were found to be bright emitters with various engineered luciferases. The unique patterns of light output also provided insight into enzyme-substrate interactions necessary for productive emission. Screening studies identified mutant luciferases that could preferentially process the disubstituted analogs, enabling orthogonal imaging with existing bioluminescent reporters. Further mutational analyses revealed the origins of substrate selectivity. Collectively, this work provides insights into luciferase-luciferin features relevant to bioluminescence and expands the number of probes for multicomponent tracking.

Biochemistry 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 C6H6N2O, COA of Formula: C10H16Br3N.

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