Month: February 2023

Comparisons on isomeric 1,10-phenanthroline aromatic heterocyclic derivatives with triphenylamine and thiophene donors before and after rhenium(I) carbonyl complexation was written by Peng, Yu-Xin;Xu, Dan;Wang, Na;Tao, Tao;Hu, Bin;Huang, Wei. And the article was included in Tetrahedron in 2016.Synthetic Route of C12H7BrN2 This article mentions the following:

The authors have described herein a series of unsym. 1,10-phenanthroline (phen) based aromatic heterocyclic derivatives with triphenylamine (TPA) and thiophene donors (L1-L5) and their resp. neutral tricarbonyl rhenium(I) complexes ([Re(CO)₃Cl(L)] 6a–6e). Comparisons between isomeric compounds L1/L2 and 6a/6b as well as L3/L4/L5 and 6c/6d/6e have been made on their ¹H NMR and UV/visible spectra, single-crystal structures and d. function theory (DFT) calculations The alterations of conjugated system of the whole mols., originating from the introduction of 2-, 3- or 3,8-substituted TPA and thiophene groups of phen, are responsible for the structural and spectral discrepancy of these structural isomers. In particular, the introduction of TPA and/or thiophene donors at 2-position of phen (L1 and L3) leads to smaller band gaps than their resp. 3-substituted isomers (L2 and L4). In addition, rhenium(I) ion complexation could slightly lower the HOMO energy levels but significantly decrease the LUMO energy levels of the mol. system. In the experiment, the researchers used many compounds, for example, 2-Bromo-1,10-phenanthroline (cas: 22426-14-8Synthetic Route of C12H7BrN2).

2-Bromo-1,10-phenanthroline (cas: 22426-14-8) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Synthetic Route of C12H7BrN2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

New effective inhibitors of the Abelson kinase was written by Kraus, George A.;Gupta, Vinayak;Mokhtarian, Marjan;Mehanovic, Samir;Nilsen-Hamilton, Marit. And the article was included in Bioorganic & Medicinal Chemistry in 2010.Related Products of 2178-24-7 This article mentions the following:

The effects of substituents on the aryl ring were studied by the preparation and testing of several PD173955 analogs. Inserting a single carbon atom into the C-N bond in the aniline subunit (PDC) reduced the kinase inhibition by a factor of 200. Despite its decreased affinity for Abl compared with PD173955, PDC exhibits a Ki very similar to that reported for Imatinib. Increased water solubility is also gained by replacing the thiomethyl group with an amino or glycyl moiety. For both PD173955 and PDC, the analogs with amino groups in place of the methylthio group are 10 times more inhibitory than the parent mols. Two mols. were identified with Kis about three orders of magnitude lower than reported for Imatinib. In the experiment, the researchers used many compounds, for example, Ethyl (2-bromophenyl)acetate (cas: 2178-24-7Related Products of 2178-24-7).

Ethyl (2-bromophenyl)acetate (cas: 2178-24-7) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon閳ユ彽romine bond is electrophilic, i.e. alkyl bromides are alkylating agents. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Related Products of 2178-24-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Electrostatic effects accelerate decatungstate-catalyzed C-H fluorination using [¹⁸F]- and [¹⁹F]NFSI in small molecules and peptide mimics was written by Yuan, Zheliang;Yang, Hua;Malik, Noeen;Colovic, Milena;Weber, David S.;Wilson, Darryl;Benard, Francois;Martin, Rainer E.;Warren, Jeffrey J.;Schaffer, Paul;Britton, Robert. And the article was included in ACS Catalysis in 2019.Name: Isopentyltriphenylphosphonium bromide This article mentions the following:

The site-selective fluorination of unactivated C(sp³)-H bonds provides unique opportunities to rapidly alter drug properties or generate radiotracers for positron emission tomog. (PET) imaging. Toward this goal, photoactivated decatungstate (DT) is capable of generating carbon radicals through hydrogen atom transfer that subsequently undergo fluorination by reaction with N-fluorobenzenesulfonimide (NFSI) or [¹⁸F]NFSI. This process enables C(sp³)-H fluorination of a wide range of aliphatic compounds, though reaction rates can be highly variable and limit applications in radiotracer synthesis. Here, we demonstrate that cationic ammonium functions in aliphatic mols. promote formation of a precursor complex with DT that significantly increases the rate of C-H abstraction. The general utility of this rate-accelerating electrostatic effect is demonstrated on more than 30 ammonium-containing mols., including amino acids, heterocycles, and pseudopeptides. Moreover, this effect is highlighted in the rapid production of [¹⁸F]Glu-U-FHLeu, a ¹⁸F-labeled prostate specific membrane antigen (PSMA)-binding ligand. In the experiment, the researchers used many compounds, for example, Isopentyltriphenylphosphonium bromide (cas: 28322-40-9Name: Isopentyltriphenylphosphonium bromide).

Isopentyltriphenylphosphonium bromide (cas: 28322-40-9) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Name: Isopentyltriphenylphosphonium bromide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Rapid access to 3-indolyl-1-trifluoromethyl-isobenzofurans by hybrid use of Lewis/Bronsted acid catalysts was written by Hoshino, Daiki;Mori, Keiji. And the article was included in Organic & Biomolecular Chemistry in 2020.Recommanded Product: 61150-57-0 This article mentions the following:

A rapid access to 3-indolyl-1-trifluoromethyl-isobenzofurans I [R¹ = H, 5-Me, 6-F, etc.; R² = H, 5-Me, 5-Br; R³ = H, Me, Et, Bn] via a [1,4]-hydride shift/cyclization/intermol. nucleophilic addition reaction sequence was reported. In this process, a Lewis acid promoted internal redox reaction ([1,4]-hydride shift/cyclization) followed by a Bronsted acid promoted intermol. reaction (generation of cyclic oxonium cation/intermol. Friedel-Crafts reaction) of indoles and (dibenzylamino)methyl-phenyl-trifluoro-ethanones occurred to give various 3-indolyl-1-trifluoromethyl-isobenzofurans in good chem. yields. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0Recommanded Product: 61150-57-0).

2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Recommanded Product: 61150-57-0

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Modeling Robust QSAR 3: SOM-4D-QSAR with Iterative Variable Elimination IVE-PLS: Application to Steroid, Azo Dye, and Benzoic Acid Series was written by Bak, Andrzej;Polanski, Jaroslaw. And the article was included in Journal of Chemical Information and Modeling in 2007.HPLC of Formula: 6515-58-8 This article mentions the following:

In the current paper we present a receptor-independent 4D-QSAR method based on self-organizing mapping (SOM-4D-QSAR) and in particular focus on its pharmacophore mapping ability. We use a novel stochastic procedure to verify the predictive ability of the method for a large population of 4D-QSAR models generated. This systematic study was conducted on a series of benzoic acids, azo dyes, and steroids that bind aromatase. We show that the 4D-QSAR method coupled with IVE-PLS provides a very stable and predictive modeling technique. The method enables us to identify the mol. motifs contributing the most to the fiber-dye affinity and the aromatase enzyme binding activity of the steroid. However, the method appeared much less effective for the benzoic acid series, in which the efficacy was limited by electronic effects strictly correlated to a single conformer. In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8HPLC of Formula: 6515-58-8).

3-(Bromomethyl)benzoic acid (cas: 6515-58-8) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.HPLC of Formula: 6515-58-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Copper-Catalyzed Cross-Coupling of Functionalized Alkyl Halides and Tosylates with Secondary and Tertiary Alkyl Grignard Reagents was written by Ren, Peng;Stern, Lucas-Alexandre;Hu, Xile. And the article was included in Angewandte Chemie, International Edition in 2012.HPLC of Formula: 14425-64-0 This article mentions the following:

A highly efficient method for the cross-coupling of non-activated and functionalized alkyl halides and tosylates with secondary and tertiary alkyl Grignard reagents has been developed. The copper-based method is remarkably practical and general. The wide scope, and especially the tolerance to a large number of important yet sensitive functional groups, make this method attractive for the streamlined synthesis of functional mols. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0HPLC of Formula: 14425-64-0).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) 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. Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.HPLC of Formula: 14425-64-0

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chemoselective and metal-free reduction of 浼?灏?unsaturated ketones by in situ produced benzeneselenol from O-(tert-butyl) Se-phenyl selenocarbonate was written by Temperini, Andrea;Ballarotto, Marco;Siciliano, Carlo. And the article was included in RSC Advances in 2020.HPLC of Formula: 108940-96-1 This article mentions the following:

The carbon-carbon double bond of arylidene acetones and chalcones can be selectively reduced with benzeneselenol generated in situ by reacting O-(tert-butyl) Se-Ph selenocarbonate with hydrochloric acid in ethanol. This mild, metal-free and exptl. simple reduction procedure displays considerable functional-group compatibility, products are obtained in good to excellent yields, and the use of toxic Se/CO mixture and NaSeH, or the smelly and air-sensitive benzeneselenol, is avoided. In the experiment, the researchers used many compounds, for example, 3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1HPLC of Formula: 108940-96-1).

3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.HPLC of Formula: 108940-96-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis of polycitrin A and 3,4-bis(4-hydroxyphenyl)pyrrole derivatives related to polycitone A was written by Winklhofer, Christian;Terpin, Andreas;Peschko, Christian;Steglich, Wolfgang. And the article was included in Synthesis in 2006.Name: 3,5-Dibromo-4-methoxybenzaldehyde This article mentions the following:

The oxidative condensation of 3-arylpyruvic acids, e.g. I, with arylethylamines, e.g. 4-MeOC₆H₄CH₂CH₂NH₂, to give 3,4-diarylpyrrole-2,5-dicarboxylic acids, e.g. II (R = OH) , was used for an efficient synthesis of polycitrin A (III). Investigation of the bromine-mediated degradation of acid II (R = OH) to maleimide IV (R¹₂ = O) suggested that the corresponding 2,5-dibromopyrrole and 5,5-dimethoxy-3-pyrroline-2-one IV (R¹ = MeO) are intermediates in this process. The debromo analog of polycitone A V was prepared in two steps from pyrrole dicarboxylic acid diester II (R = EtO). In the experiment, the researchers used many compounds, for example, 3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1Name: 3,5-Dibromo-4-methoxybenzaldehyde).

3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon鑱砨romine bond is electrophilic in nature. 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.Name: 3,5-Dibromo-4-methoxybenzaldehyde

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Cyclodextrin-Derived Host Molecules as Reversal Agents for the Neuromuscular Blocker Rocuronium Bromide: Synthesis and Structure-Activity Relationships was written by Adam, Julia M.;Bennett, D. Jonathan;Bom, Anton;Clark, John K.;Feilden, Helen;Hutchinson, Edward J.;Palin, Ronald;Prosser, Alan;Rees, David C.;Rosair, Georgina M.;Stevenson, Donald;Tarver, Gary J.;Zhang, Ming-Qiang. And the article was included in Journal of Medicinal Chemistry in 2002.COA of Formula: C42H63Br7O28 This article mentions the following:

A series of mono- and per-6-substituted cyclodextrin derivatives were synthesized as synthetic receptors (or host mols.) of rocuronium bromide, the most widely used neuromuscular blocker in anesthesia. By forming host-guest complexes with rocuronium, these cyclodextrin derivatives reverse the muscle relaxation induced by rocuronium in vitro and in vivo and therefore can be used as reversal agents of the neuromuscular blocker to assist rapid recovery of patients after surgery. Because this supramol. mechanism of action does not involve direct interaction with the cholinergic system, the reversal by these compounds is not accompanied by cardiovascular side effects usually attendant with acetylcholinesterase inhibitors such as neostigmine. The structure-activity relationships are consistent with this supramol. mechanism of action and are discussed herein. These include the effects of binding cavity size and hydrophobic and electrostatic interaction on the reversal activities of these compounds In the experiment, the researchers used many compounds, for example, Heptakis(6-Bromo-6-Deoxy)-灏?Cyclodextrin (cas: 53784-83-1COA of Formula: C42H63Br7O28).

Heptakis(6-Bromo-6-Deoxy)-灏?Cyclodextrin (cas: 53784-83-1) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon鑱砨romine bond is electrophilic in nature. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.COA of Formula: C42H63Br7O28

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Regioselective monobromination of aromatics via a halogen bond acceptor-donor interaction of catalytic thioamide and N-bromosuccinimide was written by Bovonsombat, Pakorn;Teecomegaet, Pattaradra;Kulvaranon, Panisanun;Pandey, Aditi;Chobtumskul, Kittithorn;Tungsirisurp, Sireethorn;Sophanpanichkul, Punyanuch;Losuwanakul, Satreerat;Soimaneewan, Dechathon;Kanjanwongpaisan, Patcharida;Siricharoensang, Pornpawit;Choosakoonkriang, Sirirat. And the article was included in Tetrahedron in 2017.Synthetic Route of C8H6Br2O2 This article mentions the following:

Regioselective monobromination of various aromatics was achieved at room temperature using N-bromosuccinimide and 5 mol% of thioamides in acetonitrile. With thiourea as catalyst, activated aromatics, such as anisole, acetanilide, benzamide and phenol analogs containing electron donating or withdrawing groups, were brominated with high regioselectivity. Room temperature brominations of weakly activated aromatics and deactivated 9-fluorenone were accomplished by 5 mol% thioacetamide, higher substrates concentrations and longer reaction times. A backbonding of the bromine lone pairs with the 锜?sup>*of C=S group and a halogen bond between the halogen bond donor bromine and the halogen bond acceptor sulfur of the thioamide are thought to be the principal interactions and cause of N-bromosuccinimide activation. In the experiment, the researchers used many compounds, for example, 3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1Synthetic Route of C8H6Br2O2).

3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.Synthetic Route of C8H6Br2O2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary