Month: November 2022

SDS of cas: 2675-79-8In 2019 ,《Asymmetric synthesis of the allocolchicinoid natural product N-acetylcolchinol methyl ether (suhailamine), solid state and solution phase conformational analysis》 was published in Tetrahedron. The article was written by Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.; Yeung, Angus. The article contains the following contents:

An asym. synthesis of the allocolchicinoid N-acetylcolchinol Me ether (NCME) from 3-methoxybenzaldehyde is reported. Comparison of 1H and 13C NMR spectroscopic data obtained for this sample of NCME provide further evidence for the assertion that this compound is congruous with the natural product that has been dubbed suhailamine, establishing NCME as a naturally-occurring allocolchicinoid. The single crystal X-ray diffraction structure of NCME is also reported for the first time, revealing a preference for adoption of the (7S,Ra,Z) form-i.e., describing the orientation of the biaryl axis and the amide N-CO bond as well as the configuration of the stereogenic center-in the solid state. A preference for the same form in DMSO-d6 solution is revealed upon anal. by a range of NMR spectroscopic techniques, while an interconverting 69:24:7 mixture of the (7S,Ra,Z), (7S,Sa,Z) and (7S,Ra,E) forms is observed in CDCl3. After reading the article, we found that the author used 1-Bromo-3,4,5-trimethoxybenzene(cas: 2675-79-8SDS of cas: 2675-79-8)

1-Bromo-3,4,5-trimethoxybenzene(cas: 2675-79-8) is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.SDS of cas: 2675-79-81-Bromo-3,4,5-trimethoxybenzene can be used to synthesize analogs of HA14-1, which shows promising anticancer properties.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Computed Properties of C18H12Br3NIn 2020 ,《Unconventional Chiral Amplification in Luminescent Supramolecular Polymers Based on Trisbiphenylamine-tricarboxamides》 was published in Organic Materials. The article was written by Dorca, Yeray; Naranjo, Cristina; Ghosh, Goutam; Gomez, Rafael; Fernandez, Gustavo; Sanchez, Luis. The article contains the following contents:

We describe the synthesis of two propeller-shaped, emissive trisbiphenylamines 1and (S)-2. While achiral 1 forms supramol. polymers following a cooperative mechanism, the self-assembly of chiral (S)-2 can be described by an isodesmic mechanism. Despite the isodesmic character of the supramol. polymerization of (S)-2, an efficient transfer of chirality from the embedded point chirality of the peripheral side chains to the aggregates is demonstrated. The co-assembly of 1and (S)-2 in a sergeants-and-soldiers experiment shows a very different dichroic response to that registered for pristine (S)-2, with a copolymerization curve displaying two transitions. Both these transitions coincide with those observed for the pristine achiral and chiral components, thus suggesting a self-sorting effect. After reading the article, we found that the author used Tris(4-bromophenyl)amine(cas: 4316-58-9Computed Properties of C18H12Br3N)

In general, Tris(4-bromophenyl)amine(cas: 4316-58-9) is often used in the synthesis of porous luminescent covalent–organic polymers (COPs)Computed Properties of C18H12Br3N

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Product Details of 3141-27-3In 2021 ,《Non-fullerene organic photovoltaics based on thienopyrroledione comprising random copolymers; effect of alkyl chains》 was published in Renewable Energy. The article was written by Yasa, Mustafa; Depci, Tolga; Alemdar, Eda; Hacioglu, Serife O.; Cirpan, Ali; Toppare, Levent. The article contains the following contents:

Two new random donor-acceptor (D-A) copolymers, signed as P1 and P2, were designed and synthesized. Electrochem. and spectroelectrochem. measurements were performed to investigate absorption, energy levels, electronic and optical band gaps for comparison. The polymers were used as donor polymers in the active layer to fabricate non-fullerene, bulk heterojunction (BHJ) organic photovoltaics (OPVs). Investigations were carried out through the conventional BHJ structure; ITO/PEDOT: PSS/Active Layer/LiF/Al, where active layer consists of 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene (ITIC) as the acceptor and thienopyrroledione containing donors. The device based on P1:ITIC(1:1) blend with a thickness of 161 nm gave the best performance with a power conversion efficiency (PCE) of 7.94%, an open-circuit voltage (VOC) of 0.86 V, a short-c.d. (JSC) of 18.45 mA cm-2 and a fill factor (FF) of 50.12%. The highest PCE obtained from P2 based organic solar cell is 1.96%. P2 exhibited low solubility attributed to the lack of alkyl groups enhancing polymer solubility, electronic properties, and photovoltaic performances. The research outputs exhibit that introduction of alkyl chains on the polymer backbone can enhance device performance. In the part of experimental materials, we found many familiar compounds, such as 2,5-Dibromothiophene(cas: 3141-27-3Product Details of 3141-27-3)

2,5-Dibromothiophene(cas: 3141-27-3) , is mainly used as pharmaceutical intermediate and synthesis intermediate. 2,5-Dibromothiophene polymerizes by debromination with magnesium catalyzed by nickel compounds to form poly(2,5- thienylene) .Product Details of 3141-27-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《B(C6F5)3-Catalyzed Hydrosilylation of Vinylcyclopropanes》 was written by Long, Peng-Wei; He, Tao; Oestreich, Martin. Recommanded Product: 1-Bromo-2-isopropylbenzeneThis research focused onvinylcyclopropane hydrosilane Lewis acid hydrosilylation catalyst; alkylsilane preparation. The article conveys some information:

A hydrosilylation of vinylcyclopropanes (VCPs) catalyzed by the strong boron Lewis acid B(C6F5)3 is reported. For the majority of VCPs, little or no ring opening of the cyclopropyl unit is observed Conversely, for VCPs with bulky R groups, such as ortho-substituted aryl rings or branched alkyl residues, ring opening is the exclusive reaction pathway. This finding is explained by the thwarted hydride delivery to a sterically shielded, β-silicon-stabilized cyclopropylcarbinyl cation intermediate. In addition to this study using 1-Bromo-2-isopropylbenzene, there are many other studies that have used 1-Bromo-2-isopropylbenzene(cas: 7073-94-1Recommanded Product: 1-Bromo-2-isopropylbenzene) was used in this study.

1-Bromo-2-isopropylbenzene(cas: 7073-94-1) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals.Recommanded Product: 1-Bromo-2-isopropylbenzene The most pervasive is the naturally produced bromomethane.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Exploring the Antiparasitic Activity of Tris-1,3,4-Thiadiazoles against Toxoplasma gondii-Infected Mice》 was written by Almutairi, Tahani M.; Rezki, Nadjet; Aouad, Mohamed Reda; Hagar, Mohamed; Bakr, Basant A.; Hamed, Moaaz T.; Hassen, Maha Khairy; Elwakil, Bassma H.; Moneer, Esraa Abdelhamid. Safety of Ethyl 4-bromobutyrateThis research focused onToxoplasma antiparasitic thiadiazoles antiinflammatory cytokines liver spleen brain; Toxoplasma gondii; antiparasite; docking studies; immunological studies; in vivo study; tris-1,3,4-thiadiazoles. The article conveys some information:

Nitrogen-containing atoms in their core structures have been exclusive building blocks in drug discovery and development. One of the most significant and well-known heterocycles is the 1,3,4-thidiazole nucleus, which is found in a wide range of natural products and therapeutic agents. In the present work, certain tris-1,3,4-thiadiazole derivatives (6, 7) were synthesized through a multi-step synthesis approach. All synthesized compounds were characterized using different spectroscopic tools. Previously, thiadiazole compounds as anti-Toxoplasma gondii agents have been conducted and reported in vitro. However, this is the first study to test the anti-Toxoplasma gondii activity of manufactured mol. hybrids thiadiazole in an infected mouse model with the acute RH strain of T. gondii. All the observed results demonstrated compound (7)′s powerful activity, with a considerable reduction in the parasite count reaching 82.6% in brain tissues, followed by liver and spleen tissues (65.35 and 64.81%, resp.). Inflammatory and anti-inflammatory cytokines assessments proved that Compound 7 possesses potent antiparasitic effect. Furthermore, docking tests against TgCDPK1 and ROP18 kinase (two major enzymes involved in parasite invasion and egression) demonstrated compound 7′s higher potency compared to compound 6 and megazol. According to the mentioned results, tris-1,3,4-thiadiazole derivatives under test can be employed as potent antiparasitic agents against the acute RH strain of T. gondii. In the part of experimental materials, we found many familiar compounds, such as Ethyl 4-bromobutyrate(cas: 2969-81-5Safety of Ethyl 4-bromobutyrate)

Ethyl 4-bromobutyrate(cas: 2969-81-5) belongs to bromides. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Safety of Ethyl 4-bromobutyrate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Safety of potassium (3-bromophenyl)trifluoroborateOn September 14, 2020 ,《Investigation of Stepwise and Stoichiometric Palladium-Mediated ortho-C-H Bond Arylation and Alkylation of 9(10H)-Acridinone》 was published in Organometallics. The article was written by Chu, Jean-Ho; Su, Zhe-Hong; Yen, Ko-Wang; Chien, Hsuan-I.. The article contains the following contents:

Authors present a stoichiometric methodol. for the synthesis of 4-arylated/alkylated 9(10H)-acridinones via a palladium-mediated ortho-C-H bond activation and C-C bond cross-coupling strategy. In the reaction, a N-(pyridin-2-yl)-9(10H)-acridinone palladacycle was employed as the starting substrate, which could be readily prepared by the stoichiometric reaction of N-(pyridin-2-yl)-9(10H)-acridinone and palladium(II) acetate in 89% isolated yield. Meanwhile, potassium aryl/alkyltrifluoroborates and p-benzoquinone were introduced to serve as the coupling partner and reaction promoter, resp., in the presented palladium-mediated ortho-C-H bond arylation/alkylation of 9(10H)-acridinone. The reaction eventually furnished a variety of 4-arylated/alkylated 9(10H)-acridinones in 31-95% yields. The structures of N-(pyridin-2-yl)-9(10H)-acridinone palladacycle substrate and 4-phenylated/cyclopropylated 9(10H)-acridinone products were elucidated by x-ray crystallog. Kinetic isotope effect studies, as well as controlled experiments, were carried out to gain insight into the reaction mechanism. Finally, the removal of the directing group (i.e., pyridin-2-yl) was demonstrated on one of the ortho-arylated products, 4-phenyl-N-(pyridin-2-yl)-9(10H)-acridinone. In the experiment, the researchers used many compounds, for example, potassium (3-bromophenyl)trifluoroborate(cas: 374564-34-8Safety of potassium (3-bromophenyl)trifluoroborate)

potassium (3-bromophenyl)trifluoroborate(cas: 374564-34-8) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Safety of potassium (3-bromophenyl)trifluoroborate In contrast, terrestrial plants account only for a few bromine-containing compounds.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Reference of potassium (3-bromophenyl)trifluoroborateOn March 5, 2010, Kim, Dong-Su; Ham, Jungyeob published an article in Organic Letters. The article was 《Preparation of Potassium Alkynylaryltrifluoroborates from Haloaryltrifluoroborates via Sonogashira Coupling Reaction》. The article mentions the following:

A novel series of alkyne-containing potassium organotrifluoroborates were prepared in good yields from the corresponding haloaryltrifluoroborates and various alkynes via Sonogashira coupling reaction. Also, the Suzuki-Miyaura cross-coupling reaction of alkynylaryltrifluoroborates with aryl and alkenyl bromides was achieved in the presence of 5 mol % of Pd(TPP)4 and 3.0 equiv of Cs2CO3 in aqueous 1,4-dioxane at 150 °C by microwave irradiation The experimental part of the paper was very detailed, including the reaction process of potassium (3-bromophenyl)trifluoroborate(cas: 374564-34-8Reference of potassium (3-bromophenyl)trifluoroborate)

potassium (3-bromophenyl)trifluoroborate(cas: 374564-34-8) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Reference of potassium (3-bromophenyl)trifluoroborate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Brem, Jurgen; Panduwawala, Tharindi; Hansen, Jon Ulf; Hewitt, Joanne; Liepins, Edgars; Donets, Pawel; Espina, Laura; Farley, Alistair J. M.; Shubin, Kirill; Campillos, Gonzalo Gomez; Kiuru, Paula; Shishodia, Shifali; Krahn, Daniel; Lesniak, Robert K.; Schmidt, Juliane; Calvopina, Karina; Turrientes, Maria-Carmen; Kavanagh, Madeline E.; Lubriks, Dmitrijs; Hinchliffe, Philip; Langley, Gareth W.; Aboklaish, Ali F.; Eneroth, Anders; Backlund, Maria; Baran, Andrei G.; Nielsen, Elisabet I.; Speake, Michael; Kuka, Janis; Robinson, John; Grinberga, Solveiga; Robinson, Lindsay; McDonough, Michael A.; Rydzik, Anna M.; Leissing, Thomas M.; Jimenez-Castellanos, Juan Carlos; Avison, Matthew B.; Da Silva Pinto, Solange; Pannifer, Andrew D.; Martjuga, Marina; Widlake, Emma; Priede, Martins; Hopkins Navratilova, Iva; Gniadkowski, Marek; Belfrage, Anna Karin; Brandt, Peter; Yli-Kauhaluoma, Jari; Bacque, Eric; Page, Malcolm G. P.; Bjorkling, Fredrik; Tyrrell, Jonathan M.; Spencer, James; Lang, Pauline A.; Baranczewski, Pawel; Canton, Rafael; McElroy, Stuart P.; Jones, Philip S.; Baquero, Fernando; Suna, Edgars; Morrison, Angus; Walsh, Timothy R.; Schofield, Christopher J. published an article on January 31 ,2022. The article was titled 《Imitation of β-lactam binding enables broad-spectrum metallo-β-lactamase inhibitors》, and you may find the article in Nature Chemistry.Formula: C7H5Br2F The information in the text is summarized as follows:

Carbapenems are vital antibiotics, but their efficacy is increasingly compromised by metallo-β-lactamases (MBLs). Here we report the discovery and optimization of potent broad-spectrum MBL inhibitors. A high-throughput screen for NDM-1 inhibitors identified indole-2-carboxylates (InCs) as potential β-lactamase stable β-lactam mimics. Subsequent structure-activity relationship studies revealed InCs as a new class of potent MBL inhibitor, active against all MBL classes of major clin. relevance. Crystallog. studies revealed a binding mode of the InCs to MBLs that, in some regards, mimics that predicted for intact carbapenems, including with respect to maintenance of the Zn(II)-bound hydroxyl, and in other regards mimics binding observed in MBL-carbapenem product complexes. InCs restore carbapenem activity against multiple drug-resistant Gram-neg. bacteria and have a low frequency of resistance. InCs also have a good in vivo safety profile, and when combined with meropenem show a strong in vivo efficacy in peritonitis and thigh mouse infection models. [graphic not available: see fulltext] The experimental part of the paper was very detailed, including the reaction process of 4-Bromo-1-(bromomethyl)-2-fluorobenzene(cas: 76283-09-5Formula: C7H5Br2F)

4-Bromo-1-(bromomethyl)-2-fluorobenzene(cas: 76283-09-5) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Formula: C7H5Br2F Alkyl bromides are mainly used as alkylating agents and also find application as a solvent to extract oil from seeds and wool.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Yan-Jun; Sasabe, Hisahiro; Su, Shi-Jian; Tanaka, Daisaku; Takeda, Takashi; Pu, Yong-Jin; Kido, Junji published an article on February 5 ,2010. The article was titled 《Highly efficient green phosphorescent OLED based on pyridine-containing starburst electron-transporting materials》, and you may find the article in Chemistry Letters.SDS of cas: 29102-67-8 The information in the text is summarized as follows:

Starburst materials, 1,3,5-tris[3,5-bis(pyrid-4-yl)phenyl]benzene (1a) and 1,3,5-tris[3,5-bis(pyrid-3-yl)phenyl]benzene (1b) were designed and synthesized. By using fac-tris(2-phenylpyridyl)iridium(III) [Ir(ppy)3] as a green emitter and 1 as an electron-transporting material, a green organic LED (OLED) was fabricated. The OLED exhibited a maximum power efficiency (PE) of 96 lm W-1 with an external quantum efficiency (EQE) of 23% at 2.1 cd m-2, and a PE of 75 lm W-1 with an EQE of 23% at 100 cd m-2. In addition to this study using 3,3”,5,5”-Tetrabromo-5′-(3,5-dibromophenyl)-1,1′:3′,1”-terphenyl, there are many other studies that have used 3,3”,5,5”-Tetrabromo-5′-(3,5-dibromophenyl)-1,1′:3′,1”-terphenyl(cas: 29102-67-8SDS of cas: 29102-67-8) was used in this study.

3,3”,5,5”-Tetrabromo-5′-(3,5-dibromophenyl)-1,1′:3′,1”-terphenyl(cas: 29102-67-8) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals.SDS of cas: 29102-67-8 The most pervasive is the naturally produced bromomethane.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2016,Serkov, I. V.; Proshin, A. N.; Ustinov, A. K.; Bachurin, S. O. published 《Nitroxyethylamides of carbazolecarboxylic acids》.Doklady Chemistry published the findings.Quality Control of Methyl 3-bromopropanoate The information in the text is summarized as follows:

A method of synthesis of carbazole-derived hybrid compounds containing nitroxy group as an NO-producing fragment was developed, the compounds were of interest as a base for designing potential remedies for the treatment of neurodegenerative diseases. In the experimental materials used by the author, we found Methyl 3-bromopropanoate(cas: 3395-91-3Quality Control of Methyl 3-bromopropanoate)

Methyl 3-bromopropanoate(cas: 3395-91-3) belongs to bromides. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents.Quality Control of Methyl 3-bromopropanoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary