Author: Jessica.F

《Introduction of heterocyclic ring to phenanthroimidazole moiety for efficient blue emitting ionic small molecule LECs》 was written by John, Jino C.; Shanmugasundaram, Kanagaraj; Puthanveedu, Archana; Rao, C. V. S. Brahmmananda; Gopakumar, Gopinadhanpillai; Choe, Youngson. Computed Properties of C6H12Br2 And the article was included in Organic Electronics in 2020. The article conveys some information:

Two novel phenanthroimidazole based luminogens were designed and synthesized through simple synthetic procedures. Two different hetero atoms containing (S, O) rings were introduced into the phenanthroimidazole moiety to obtain the efficient blue emitting luminogens. The optical, thermal, electronic, electrochem. and electroluminescence properties of both the derivatives have been thoroughly characterized. Both the synthesized compounds showed good thermal stability which is necessary for the LEC fabricating material. The photoluminescence quantum yields are good for both the compounds The theor. calculations done for electronic structure predictions are in good agreement with the exptl. studies done by cyclic voltammetry. Moreover, the LEC devices fabricated show strong blue emission in 459 and 461 nm for devices 1 and 2 resp. The CIE graph show good intensity for the devices 1 and 2 at (0.18,0.22) and (0.19,0.19) resp. These CIE coordinates fall in the strong and intense blue emission region. Comparing the brightness, the compound 2 shows better brightness of 1289 than that of compound 1 of 1177 cd m-2. The c.d. is also higher for the compound 2 which shows 342, when the compound 1 shows a c.d. of 166 mA cm-2. Both the compounds show very good external quantum efficiency too. In addition to this study using 1,6-Dibromohexane, there are many other studies that have used 1,6-Dibromohexane(cas: 629-03-8Computed Properties of C6H12Br2) was used in this study.

1,6-Dibromohexane(cas: 629-03-8) is generally used to introduce C6 spacer in the molecular architecture. Some of the examples are: synthesis of solvent processable and conductive polyfluorene ionomers for alkaline fuel cell applications; synthesis of cross-linkable regioregular poly(3-(5-hexenyl)thiophene) (P3HNT) for stabilizing the film morphology in polymer photovoltaic cells.Computed Properties of C6H12Br2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hermann, Theresa; Hochegger, Patrick; Dolensky, Johanna; Seebacher, Werner; Saf, Robert; Kaiser, Marcel; Maeser, Pascal; Weis, Robert published their research in Pharmaceuticals in 2021. The article was titled 《New acyl derivatives of 3-aminofurazanes and their antiplasmodial activities》.Computed Properties of C9H9BrO2 The article contains the following contents:

An N-acylated furazan-3-amine of a Medicines for Malaria Venture (MMV) project has shown activity against different strains of Plasmodium falciparum. Seventeen new derivatives were prepared and tested in vitro for their activities against blood stages of two strains of Plasmodium falciparum. Several structure-activity relationships were revealed. The activity strongly depended on the nature of the acyl moiety. Only benzamides showed promising activity. The substitution pattern of their Ph ring affected the activity and the cytotoxicity of compounds In addition, physicochem. parameters were calculated (log P, log D, ligand efficiency) or determined exptl. (permeability) via a PAMPA. The N-(4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl)-3-(trifluoromethyl)benzamide possessed good physicochem. properties and showed high antiplasmodial activity against a chloroquine-sensitive strain (IC50(NF54) = 0.019 μM) and even higher antiplasmodial activity against a multiresistant strain (IC50(K1) = 0.007 μM). Compared to the MMV compound, the permeability and the activity against the multiresistant strain were improved. The results came from multiple reactions, including the reaction of Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Computed Properties of C9H9BrO2)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. Computed Properties of C9H9BrO2 The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhang, Jian; Mu, Keman; Yang, Peng; Feng, Xinqian; Zhang, Di; Fan, Xiangyu; Wang, Qiantao; Mao, Shengjun published their research in Bioorganic Chemistry in 2021. The article was titled 《Synthesis, antiepileptic effects, and structure-activity relationships of α-asarone derivatives: In vitro and in vivo neuroprotective effect of selected derivatives》.SDS of cas: 1530-32-1 The article contains the following contents:

In the present study, we compared the antiepileptic effects of α-asarone derivatives to explore their structure-activity relationships using the PTZ-induced seizure model. Our research revealed that electron-donating methoxy groups in the 3,4,5-position on Ph ring increased antiepileptic potency but the placement of other groups at different positions decreased activity. Besides, in allyl moiety, the optimal activity was reached with either an allyl or a 1-butenyl group in conjugation with the benzene ring. The compounds 5 (I) and 19 (II) exerted better neuroprotective effects against epilepsy in vitro (cell) and in vivo (mouse) models. This study provides valuable data for further exploration and application of these compounds as potential anti-seizure medicines. In addition to this study using Ethyltriphenylphosphonium bromide, there are many other studies that have used Ethyltriphenylphosphonium bromide(cas: 1530-32-1SDS of cas: 1530-32-1) was used in this study.

Ethyltriphenylphosphonium bromide(cas: 1530-32-1) is a phase transfer catalyst, used to accelerate the cure of phenolic-based epoxy resins, certain fluoroelastomer resins and thermosetting powder coatings. It is also used as catalysts in the synthesis of certain organic compounds and as a pharmaceutical intermediate.SDS of cas: 1530-32-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Huang, Hong-Gui; Li, Weishuang; Zhong, Dayou; Wang, Hu-Chong; Zhao, Jing; Liu, Wen-Bo published their research in Chemical Science in 2021. The article was titled 《Trifluoromethanesulfonyl azide as a bifunctional reagent for metal-free azidotrifluoromethylation of unactivated alkenes》.Computed Properties of C4H7BrO2 The article contains the following contents:

A simple and metal-free method that rapidly provides these building blocks, e.g., I from abundant alkenes RR1C=CR2R3 (R = 3-[(pyridin-3-yl)carbonyloxy]propyl, C8H17, CH2C6H5, etc.; R1 = H, Me, n-Pr; R2 = R3 = H, Me) and trifluoromethanesulfonyl azide (N3SO2CF3). This unprecedented two-component reaction employs readily available N3SO2CF3 as a bifunctional reagent to concurrently incorporate both CF3 and N3 groups, which avoids the use of their expensive and low atom economic precursors. A wide range of functional groups, including bio-relevant heterocycles and amino acids, was tolerated. Application of this method was further demonstrated by scale-up synthesis (5 mmol), product derivatization to CF3-containing medicinal chem. motifs, as well as late-stage modification of natural products, e.g., 5-(2,2,2-trifluoroethyl)pyrrolidin-2-one and drug derivatives In addition to this study using 4-Bromobutanoic acid, there are many other studies that have used 4-Bromobutanoic acid(cas: 2623-87-2Computed Properties of C4H7BrO2) was used in this study.

4-Bromobutanoic acid(cas: 2623-87-2) belongs to carboxylic acids. The chief chemical characteristic of the carboxylic acids is their acidity. They are generally more acidic than other organic compounds containing hydroxyl groups but are generally weaker than the familiar mineral acids (e.g., hydrochloric acid, HCl, sulfuric acid, H2SO4, etc.).Computed Properties of C4H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Noureldin, Nada A.; Richards, Jennifer; Kothayer, Hend; Baraka, Mohammed M.; Eladl, Sobhy M.; Wootton, Mandy; Simons, Claire published their research in BMC Chemistry in 2021. The article was titled 《Design, computational studies, synthesis and in vitro antimicrobial evaluation of benzimidazole based thio-oxadiazole and thio-thiadiazole analogues》.HPLC of Formula: 3395-91-3 The article contains the following contents:

Two series of benzimidazole based thio-oxadiazole and thio-thiadiazole analogs were designed and synthesized as novel antimicrobial drugs through inhibition of phenylalanyl-tRNA synthetase (PheRS), which is a promising antimicrobial target. Compounds were designed to mimic the structural features of phenylalanyl adenylate (Phe-AMP) the PheRS natural substrate. A 3D conformational alignment for the designed compounds and the PheRS natural substrate revealed a high level of conformational similarity, and a mol. docking study indicated the ability of the designed compounds to occupy both Phe-AMP binding pockets. A mol. dynamics (MD) simulation comparative study was performed to understand the binding interactions with PheRS from different bacterial microorganisms. The synthetic pathway of the designed compounds proceeded in five steps starting from benzimidazole. The fourteen synthesized compounds 5a-d, 6a-c, 8a-d and 9a-c were purified, fully characterised and obtained in high yield. In vitro antimicrobial evaluation against five bacterial strains showed a moderate activity of compound 8b with MIC value of 32 μg/mL against S. aureus, while all the synthesized compounds showed weak activity against both E. faecalis and P. aeruginosa (MIC 128 μg/mL). Compound 8b provides a lead compound for further structural development to obtain high affinity PheRS inhibitors. The experimental part of the paper was very detailed, including the reaction process of Methyl 3-bromopropanoate(cas: 3395-91-3HPLC of Formula: 3395-91-3)

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.HPLC of Formula: 3395-91-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chen, Da; Hao, Shiqiang; Fan, Liubing; Guo, Yangwu; Yao, Jiyong; Wolverton, Christopher; Kanatzidis, Mercouri G.; Zhao, Jing; Liu, Quanlin published their research in Chemistry of Materials in 2021. The article was titled 《Broad Photoluminescence and Second-Harmonic Generation in the Noncentrosymmetric Organic-Inorganic Hybrid Halide (C6H5(CH2)4NH3)4MX7·H2O (M = Bi, In, X = Br or I)》.SDS of cas: 13465-09-3 The article contains the following contents:

Recent discoveries in organic-inorganic metal halides reveal superior semiconducting and polarization properties. Herein, we report three organic-inorganic metal halides, (PBA)4BiBr7·H2O, (PBA)4BiI7·H2O, and (PBA)4InBr7·H2O [(PBA)+ = C6H5(CH2)4NH3+], with band gaps of ~3.52, ~2.29, and ~4.05 eV, resp. They possess zero-dimensional structures containing the inorganic octahedra [MX6]3- (M = Bi, In, X = Br, I) and unbound X- ions and crystallize in the C2 space group. (PBA)4BiI7·H2O shows a second-harmonic-generation (SHG) response in the IR region, approx. 1.3 times that of AgGaS2; (PBA)4BiBr7·H2O and (PBA)4InBr7·H2O show SHG responses in the UV region, approx. 0.4 and 0.6 times that of KH2PO4, resp. The large SHG responses are attributed to the synergistic contribution of the octahedral distortion of [MX6]3- (M = Bi, In, X = Br, I) and the ordered arrangement of the benzene ring-containing organic cation PBA+. Upon UV and visible-light excitations at room temperature, (PBA)4BiBr7·H2O, (PBA)4BiI7·H2O, and (PBA)4InBr7·H2O exhibit broad red-light luminescence with large Stokes shifts of 290, 237, and 360 nm, resp., due to self-trapped exciton emission. All of these properties demonstrate that this series of metal halides are potential multifunctional optoelectronic materials. The experimental part of the paper was very detailed, including the reaction process of Indium(III) bromide(cas: 13465-09-3SDS of cas: 13465-09-3)

Indium(III) bromide(cas: 13465-09-3) is used in organic synthesis as a water tolerant Lewis acid. It efficiently catalyzes the three-component coupling of β-keto esters, aldehydes and urea (or thiourea) to afford the corresponding dihydropyrimidinones.SDS of cas: 13465-09-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Bisenieks, Egils; Vigante, Brigita; Petrovska, Ramona; Turovska, Baiba; Muhamadejev, Ruslan; Soloduns, Vitalijs; Velena, Astrida; Pajuste, Karlis; Saso, Luciano; Klovins, Janis; Duburs, Gunars; Mandrika, Ilona published an article in 2021. The article was titled 《The Specificity and Broad Multitarget Properties of Ligands for the Free Fatty Acid Receptors FFA3/GPR41 and FFA2/GPR43 and the Related Hydroxycarboxylic Acid Receptor HCA2/GPR109A》, and you may find the article in Pharmaceuticals.Related Products of 5437-45-6 The information in the text is summarized as follows:

The paradigm of ligand-receptor interactions postulated as “”one compound-one target”” has been evolving; a multi-target, pleiotropic approach is now considered to be realistic. Novel series of 1,4,5,6,7,8-hexahydro-5-oxoquinolines, pyranopyrimidines and S-alkyl derivatives of pyranopyrimidines have been synthesized in order to characterize their pleiotropic, multitarget activity on the FFA3/GPR41, FFA2/GPR43, and HCA2/GPR109A receptors. Hexahydroquinoline derivatives have been known to exhibit characteristic activity as FFA3/GPR41 ligands, but during this study we observed their impact on FFA2/GPR43 and HCA2/GPR109A receptors as well as their electron-donating activity. Oxopyranopyrimidine and thioxopyranopyrimidine type compounds have been studied as ligands of the HCA2/GPR109A receptor; nevertheless, they exhibited equal or higher activity towards FFA3/GPR41 and FFA2/GPR43 receptors. S-Alkyl derivatives of pyranopyrimidines that have not yet been studied as ligands of GPCRs were more active towards HCA2/GPR109A and FFA3/GPR41 receptors than towards FFA2/GPR43. Representative compounds from each synthesized series were able to decrease the lipopolysaccharide-induced gene expression and secretion of proinflammatory cytokines (IL-6, TNF-α) and of a chemokine (MCP-1) in THP-1 macrophages, resembling the effect of HCA2/GPR109A ligand niacin and the endogenous ligand propionate. This study revealed groups of compounds possessing multitarget activity towards several receptors. The obtained data could be useful for further development of multitarget ligands. The experimental part of the paper was very detailed, including the reaction process of Benzyl 2-bromoacetate(cas: 5437-45-6Related Products of 5437-45-6)

Benzyl 2-bromoacetate(cas: 5437-45-6) belongs to benzyl acetate. Benzyl acetate is an aromatic chemical, usually appearing as a clear liquid with a moderate sweet-jasmine fragrance. This compound appears as a component of some of our fragrance blends.Related Products of 5437-45-6

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ghosh, Subhendu; Khandelia, Tamanna; Patel, Bhisma K. published an article in 2021. The article was titled 《Solvent-Switched Manganese(I)-Catalyzed Regiodivergent Distal vs Proximal C-H Alkylation of Imidazopyridine with Maleimide》, and you may find the article in Organic Letters.Reference of Bromopentacarbonylmanganese(I) The information in the text is summarized as follows:

A sustainable Mn(I)-catalyzed exclusive solvent-dependent functionalization of imidazopyridine with maleimide via an electrophilic metalation at the distal (in 2,2,2-trifluoroethanol (TFE)) and chelation assisted at the proximal (in THF (THF)) was developed. The strategy was successfully applied to the drug Zolimidine and a broad range of substrates, thereby reflecting the method’s versatility. The experimental process involved the reaction of Bromopentacarbonylmanganese(I)(cas: 14516-54-2Reference of Bromopentacarbonylmanganese(I))

Bromopentacarbonylmanganese(I)(cas: 14516-54-2) has many other uses. It is used in the formation of (eta6-arene)tricarbonylmanganese(I) by reacting with arene (arene= hexamethyl benzene, 1,2,4,5-tetramethyl benzene, mesitylene, p-xylene and toluene) in the presence silver salt.Reference of Bromopentacarbonylmanganese(I)

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kaithal, Akash; Hoelscher, Markus; Leitner, Walter published an article in 2021. The article was titled 《Carbon monoxide and hydrogen (syngas) as a C1-building block for selective catalytic methylation》, and you may find the article in Chemical Science.Category: bromides-buliding-blocks The information in the text is summarized as follows:

A catalytic reaction using syngas (CO/H2) as feedstock for the selective β-methylation of alcs. was developed whereby carbon monoxide acts as a C1 source and hydrogen gas as a reducing agent. The overall transformation occurs through an intricate network of metal-catalyzed and base-mediated reactions. The mol. complex [Mn(CO)2Br[HN(C2H4PiPr2)2]] 1 comprising earth-abundant manganese acts as the metal component in the catalytic system enabling the generation of formaldehyde from syngas in a synthetically useful reaction. This new syngas conversion opens pathways to install Me branches at sp3 carbon centers utilizing renewable feedstocks and energy for the sy nthesis of biol. active compounds, fine chems., and advanced biofuels.Bromopentacarbonylmanganese(I)(cas: 14516-54-2Category: bromides-buliding-blocks) was used in this study.

Bromopentacarbonylmanganese(I)(cas: 14516-54-2) has many other uses. It is used in the formation of (eta6-arene)tricarbonylmanganese(I) by reacting with arene (arene= hexamethyl benzene, 1,2,4,5-tetramethyl benzene, mesitylene, p-xylene and toluene) in the presence silver salt.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hu, Xuefu; Wang, Zhiye; Su, Yuming; Chen, Peican; Jiang, Yibin; Zhang, Cankun; Wang, Cheng published an article in 2021. The article was titled 《Metal-Organic Layers with an Enhanced Two-Photon Absorption Cross-Section and Up-Converted Emission》, and you may find the article in Chemistry of Materials.Application of 4316-58-9 The information in the text is summarized as follows:

Two-photon absorption (TPA) of many chromophores can be enhanced by building them into the structure of metal-organic frameworks (MOFs). However, light scattering of MOFs defocuses the light beam and thus decreases the nonlinear optical effects like TPA. Nanoscale two-dimensional (2D) metal-organic layers (MOLs) are 2D analogs of MOFs with low light scattering. In this work, we obtained a MOL containing tri(4-carboxylic-biphenyl)-4′-amine (H3TCBPA) that exhibited a TPA cross-section of 13 000 ± 2000 GM, which is ~7 times that of the H3TCBPA ligand in homogeneous solution (1850 ± 200 GM). The MOL also gave bright up-converted fluorescence thanks to efficient TPA and a high fluorescence quantum yield. The theor. calculation showed that a large dipole moment of the excited state due to electron redistribution between the ligands and the metal-connecting nodes in the MOL is the reason for the TPA enhancement. This work illustrates MOLs as 2D materials with enhanced TPA for generating bright upconverted fluorescence. The experimental process involved the reaction of Tris(4-bromophenyl)amine(cas: 4316-58-9Application of 4316-58-9)

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

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary