Month: February 2023

Bromination of 4,4′,4”-trisubstituted triphenylamines. Torsional control of electrophilic aromatic substitution was written by Kelley, William S.;Monack, Louise;Rogge, Peter T.;Schwartz, Robert N.;Varimbi, Suzanne P.;Walter, Robert I.. And the article was included in Justus Liebigs Annalen der Chemie in 1971.Recommanded Product: 615-55-4 This article mentions the following:

Bromination of (p-BrC6H4)3N, (p-MeC6H4)3N (I), and (p-MeOC6H4)3N (II) gave products with only one ortho-Br atom in each ring as determined by comparison of the NMR spectra with those of the appropriate 4-substituted 2-bromo- or 3-bromoanilines. D exchange in I and II took place in all 6 ortho positions. These reactions are interpreted as a result of a stepwise electrophilic substitution which occurs only when the aromatic ring undergoing reaction is rotated close to the fully activated conformation, in which it is coplanar with the three C-N bonds. The other two rings must be rotated far out of the plane to permit the ring undergoing substitution to attain this conformation. After bromination in one ortho position, the bulky Br atom prevents a return to the fully activated position whereas the smaller H or Cl do not. In the experiment, the researchers used many compounds, for example, 3,4-Dibromoaniline (cas: 615-55-4Recommanded Product: 615-55-4).

3,4-Dibromoaniline (cas: 615-55-4) 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. 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.Recommanded Product: 615-55-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Structural Modifications to Tetrahydropyridine-3-carboxylate Esters en Route to the Discovery of M₅-Preferring Muscarinic Receptor Orthosteric Antagonists was written by Zheng, Guangrong;Smith, Andrew M.;Huang, Xiaoqin;Subramanian, Karunai L.;Siripurapu, Kiran B.;Deaciuc, Agripina;Zhan, Chang-Guo;Dwoskin, Linda P.. And the article was included in Journal of Medicinal Chemistry in 2013.Related Products of 14425-64-0 This article mentions the following:

The M₅ muscarinic acetylcholine receptor is suggested to be a potential pharmacotherapeutic target for the treatment of drug abuse. We describe herein the discovery of a series of M₅-preferring orthosteric antagonists based on the scaffold of 1,2,5,6-tetrahydropyridine-3-carboxylic acid. Compound 56, the most selective compound in this series, possesses an 11-fold selectivity for the M₅ over M₁ receptor and shows little activity at M₂-M₄. This compound, although exhibiting modest affinity (K_i = 2.24 婵炴挾鎷? for the [³H]N-methylscopolamine binding site on the M₅ receptor, is potent (IC₅₀ = 0.45 nM) in inhibiting oxotremorine-evoked [³H]DA release from rat striatal slices. Further, a homol. model of human M₅ receptor based on the crystal structure of the rat M₃ receptor was constructed, and docking studies of compounds 28 and 56 were performed in an attempt to understand the possible binding mode of these novel analogs to the receptor. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Related Products of 14425-64-0).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon闂佺偨鍎茶ぐ绲﹐mine bond is electrophilic, i.e. alkyl bromides are alkylating agents. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Related Products of 14425-64-0

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

QSPR modelling with the topological substructural molecular design approach: 閻?cyclodextrin complexation was written by Perez-Garrido, Alfonso;Helguera, Aliuska Morales;Cordeiro, M. Natalia D. S.;Escudero, Amalio Garrido. And the article was included in Journal of Pharmaceutical Sciences in 2009.Computed Properties of C8H7BrO2 This article mentions the following:

This study aims at developing a quant. structure-property relationship (QSPR) model for predicting complexation with 閻?cyclodextrins (閻?CD) based on a large variety of organic compounds Mol. descriptors were computed following the TOPol. Substructural Mol. DEsign (TOPS-MODE) approach and correlated with 閻?CD complex stability constants by linear multivariate data anal. This strategy afforded a final QSPR model that was able to explain around 86% of the variance in the exptl. activity, along with showing good internal cross-validation statistics, and also good predictivity on external data. Topol. substructural information influencing the complexation with 閻?CD was extracted from the QSPR model. This revealed that the major driving forces for complexation are hydrophobicity and van der Waals interactions. Therefore, the presence of hydrophobic groups (hydrocarbon chains, aryl groups, etc.) and voluminous species (Cl, Br, I, etc.) in the mols. renders easy their complexity with 閻?CDs. To our knowledge, this is the first time a correlation between TOPS-MODE descriptors and complexing abilities of 閻?CDs has been reported. 婵?2009 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 98:4557-4576, 2009. In the experiment, the researchers used many compounds, for example, 3-Bromophenyl acetate (cas: 35065-86-2Computed Properties of C8H7BrO2).

3-Bromophenyl acetate (cas: 35065-86-2) 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.Computed Properties of C8H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Three-Dimensional Heterocycles by Iron-Catalyzed Ring-Closing Sulfoxide Imidation was written by Yu, Hao;Li, Zhen;Bolm, Carsten. And the article was included in Angewandte Chemie, International Edition in 2018.Name: 2-Bromo-4-(trifluoromethyl)benzaldehyde This article mentions the following:

A general and atom-economical method for the synthesis of cyclic sulfoximines by intramol. imidations of azido-containing sulfoxides using a com. available Fe^II phthalocyanine (Fe^IIPc) as catalyst was developed. The method conveys a broad functional group tolerance and the resulting three-dimensional heterocycles can be modified by cross-coupling reactions. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7Name: 2-Bromo-4-(trifluoromethyl)benzaldehyde).

2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7) 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闁艰京鐗梤omine 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.Name: 2-Bromo-4-(trifluoromethyl)benzaldehyde

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Metal free synthesis of Coumarin containing hetero[n]helicene like molecules with TICT and AIE properties was written by Soni, Rina;Soman, Shubhangi S.. And the article was included in Asian Journal of Organic Chemistry in 2022.Safety of 1-Bromopyrrolidine-2,5-dione This article mentions the following:

Coumarin containing hetero[n]helicene like mols. were synthesized using three component Povarov reaction followed by two dehydrogenation steps in good yields. Synthesis and photophys. properties of coumarin containing multifunctional helicene like mols. were found to be affected by substitution on pendant Ph ring. Coumarin containing hetero[6]helicene like derivative 4-(4-nitrophenyl)-2H-benzo[f]benzo[5,6]chromeno[3,4-c]isoquinolin-2-one showed bright yellow emission in solution, thin film and solid state. Coumarin containing hetero[6]helicene like compound 4-(2-oxo-5,6-dihydro-2H-chromeno[3,4-c]naphtho[1,2-f]isoquinolin-4-yl)benzonitrile showed bright blue emission in solution, thin film, and solid state. The structures of intermediate compounds were confirmed by a single crystal X-ray anal. These structures were compared with DFT optimized structures for the helicity parameters. DFT calculations provided good correlation with observed photophys. properties of compounds 4-(4-Nitrophenyl)-2H-benzo[f]benzo[5,6]chromeno[3,4-c]isoquinolin-2-one and 4-(2-oxo-5,6-dihydro-2H-chromeno[3,4-c]naphtho[1,2-f]isoquinolin-4-yl)benzonitrile. In the experiment, the researchers used many compounds, for example, 1-Bromopyrrolidine-2,5-dione (cas: 128-08-5Safety of 1-Bromopyrrolidine-2,5-dione).

1-Bromopyrrolidine-2,5-dione (cas: 128-08-5) 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 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.Safety of 1-Bromopyrrolidine-2,5-dione

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Molecular-Shape-Controlled Nonfused Ring Electron Acceptors for High-Performance Organic Solar Cells with Tunable Phase Morphology was written by Wang, Xiaodong;Lu, Hao;Zhang, Andong;Yu, Na;Ran, Guangliu;Bi, Zhaozhao;Yu, Xiaodi;Xu, Xinjun;Liu, Yahui;Tang, Zheng;Zhang, Wenkai;Ma, Wei;Bo, Zhishan. And the article was included in ACS Applied Materials & Interfaces in 2022.Category: bromides-buliding-blocks This article mentions the following:

Two nonfused ring electron acceptors (NFREAs), BTh-OC8-2F and DTh-OC8-2F, with different mol. shapes are designed and synthesized. Both acceptors can form planar mol. shapes by the assistance of S閻犱警鍨甸惌鍓ф崉閻?intramol. interactions. Differently, BTh-OC8-2F, with a linear mol. backbone and two trans-arranged side chains at the core unit, exhibits much stronger crystallinity than DTh-OC8-2, with a C-shape mol. shape and two cis-arranged steric side chains at the core unit. Thus, the DTh-OC8-2F based blend film displays a better nanoscale phase separation, more suppressed charge recombination, more efficient exciton dissociation, and lower nonradiative energy loss. Organic solar cells based on DTh-OC8-2F can deliver a power conversion efficiency of 14.13%, which is much higher than BTh-OC8-2F based ones (11.95%) and is also one of the highest values reported for organic solar cells based on NFREAs. In the experiment, the researchers used many compounds, for example, 1-Bromopyrrolidine-2,5-dione (cas: 128-08-5Category: bromides-buliding-blocks).

1-Bromopyrrolidine-2,5-dione (cas: 128-08-5) 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. 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.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Directing Group Enhanced Carbonylative Ring Expansions of Amino-Substituted Cyclopropanes: Rhodium-Catalyzed Multicomponent Synthesis of N-Heterobicyclic Enones was written by Shaw, Megan H.;Melikhova, Ekaterina Y.;Kloer, Daniel P.;Whittingham, William G.;Bower, John F.. And the article was included in Journal of the American Chemical Society in 2013.Application of 14425-64-0 This article mentions the following:

Aminocyclopropanes equipped with suitable N-directing groups undergo efficient and regioselective Rh-catalyzed carbonylative C-C bond activation. Trapping of the resultant metallacycles with tethered alkynes provides an atom-economic entry to diverse N-heterobicyclic enones. These studies provide a blueprint for myriad N-heterocyclic methodologies. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Application of 14425-64-0).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon闂佺偨鍎茶ぐ绲﹐mine bond is electrophilic, i.e. alkyl bromides are alkylating agents. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Application of 14425-64-0

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis and evaluation of the performance of a small molecule library based on diverse tropane-related scaffolds was written by Lowe, Robert A.;Taylor, Dale;Chibale, Kelly;Nelson, Adam;Marsden, Stephen P.. And the article was included in Bioorganic & Medicinal Chemistry in 2020.Application of 61150-57-0 This article mentions the following:

A unified synthetic approach was developed that enabled the synthesis of diverse tropane-related scaffolds. The key intermediates that were exploited were cycloadducts formed by reaction between 3-hydroxypyridinium salts and vinyl sulfones or sulfonamides. The diverse tropane-related scaffolds were formed by addition of substituents to, cyclization reactions of, and fusion of addnl. ring(s) to the key bicyclic intermediates. A set of 53 screening compounds was designed, synthesized and evaluated in order to determine the biol. relevance of the scaffolds accessible using the synthetic approach. Two inhibitors of Hedgehog signalling, and four compounds with weak activity against the parasite P. falciparum, were discovered. Three of the active compounds may be considered to be indotropane or pyrrotropane pseudo natural products in which a tropane is fused with a fragment from another natural product class. It was concluded that the unified synthetic approach had yielded diverse scaffolds suitable for the design of performance-diverse screening libraries. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0Application of 61150-57-0).

2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon闂佺偨鍎茶ぐ绲﹐mine bond is electrophilic, i.e. alkyl bromides are alkylating agents. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Application of 61150-57-0

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chemogenomic Profiling of Human and Microbial FK506-Binding Proteins was written by Pomplun, Sebastian;Sippel, Claudia;Haehle, Andreas;Tay, Donald;Shima, Kensuke;Klages, Alina;Uenal, Can Murat;Riess, Benedikt;Toh, Hui Ting;Hansen, Guido;Yoon, Ho Sup;Bracher, Andreas;Preiser, Peter;Rupp, Jan;Steinert, Michael;Hausch, Felix. And the article was included in Journal of Medicinal Chemistry in 2018.HPLC of Formula: 4457-67-4 This article mentions the following:

FK506-binding proteins (FKBPs) are evolutionarily conserved proteins that display peptidyl-prolyl isomerase activities and act as coreceptors for immunosuppressants. Microbial macrophage-infectivity-potentiator (Mip)-type FKBPs can enhance infectivity. However, developing druglike ligands for FKBPs or Mips has proven difficult, and many FKBPs and Mips still lack biol. useful ligands. To explore the scope and potential of C⁵-substituted [4.3.1]-aza-bicyclic sulfonamides as a broadly applicable class of FKBP inhibitors, we developed a new synthesis method for the bicyclic core scaffold and used it to prepare an FKBP- and Mip-focused library. This allowed us to perform a systematic structure-activity-relationship anal. across key human FKBPs and microbial Mips, yielding highly improved inhibitors for all the FKBPs studied. A cocrystal structure confirmed the mol.-binding mode of the core structure and explained the affinity gained as a result of the preferred substituents. The best FKBP and Mip ligands showed promising antimalarial, antileginonellal, and antichlamydial properties in cellular models of infectivity, suggesting that substituted [4.3.1]-aza-bicyclic sulfonamides could be a novel class of anti-infectives. In the experiment, the researchers used many compounds, for example, 1-Bromo-4-methoxybutane (cas: 4457-67-4HPLC of Formula: 4457-67-4).

1-Bromo-4-methoxybutane (cas: 4457-67-4) 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.HPLC of Formula: 4457-67-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Development of Phthalimide-Donepezil Hybrids as Potent Multitarget- Directed Ligands for the Treatment of Alzheimer’s Disease was written by Yu, Lintao;Shi, Jian;Cheng, Xinfeng;Wang, Keren;Liu, Shuang;Liu, Wenmin;Sang, Zhipei. And the article was included in Letters in Drug Design & Discovery in 2020.COA of Formula: C13H14BrNO2 This article mentions the following:

Due to the complex etiol. of AD, multi-target-directed ligands (MTDLs), combining two or more distinct pharmacol. moieties, have been developed in both symptomatic and disease-modifying efficiencies and are considered as an effective way for the treatment of AD. To test their biol. activities, including AChE/BChE inhibitory activity and MAOA/ MAO-B inhibitory activity. In addition, mol. modeling studies were performed to afford insight into the binding mode. The results displayed that compound 4c showed the best AChE inhibitory activity with an IC₅₀ value of 4.2 I1/4M, which was supported by the kinetic study and docking study. Compound 4c was also a selective MAO-B inhibitor (IC₅₀ = 8.2 I1/4M). Moreover, compound 4c could cross the blood-brain barrier in vitro. Compound 4c deserved to further study as a potential multifunctional agent for the treatment of Alzheimeraeuros disease. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4COA of Formula: C13H14BrNO2).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon闂佺偨鍎茶ぐ绲﹐mine bond is electrophilic, i.e. alkyl bromides are alkylating agents. 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.COA of Formula: C13H14BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary