Tag: 100-200

《Spectroscopic and electronic structure characterization of hydrogen bonding in 2-Bromohydroquinone》 was written by Malaganvi, Shivanand S.; Tonannavar Yenagi, Jayashree; Tonannavar, J.. SDS of cas: 583-69-7 And the article was included in Journal of Molecular Structure on April 5 ,2019. The article conveys some information:

2-Bromohydroquinone species form both intra- and inter-mol. H-bonds. The evidences for the H-bonds have been observed in the solid-phase Mid IR (4000-400 cm-1) and Near IR (8000-5000 cm-1) absorption spectra with two intensely broad bands near 3263 and 3222 cm-1 and a broad absorption in 7000-5200 cm-1 with a band maximum at 6335 cm-1. Dimer and trimer models with DFT’s B3LYP and BP86 functionals using 6-31G(d) and 6-311++G(d,p) basis sets have been proposed for the -O-H···O bonding in 2-Bromohydroquinone. Out of the four predicted conformers, one trans and one cis conformers with nearly 1:1 Boltzmann populations, are separated by very small energy difference of 0.03 kcal/mol and this is confirmed by two chem. shifts at 9.0 and 9.3 ppm from an 1H NMR spectrum. On the basis of Quantum Theory of Atoms in Mols. (AIM) and reduced d. gradient plots of electron densities and its isosurfaces by non-covalent interactions (NCI) method, the influence of the -O-H···Br, weak van der Waals and -O-H···O bond interactions on the stability of dimer and trimer structures have been analyzed. From the natural bond orbital (NBO) anal., it is explained that the formation of H-bonding may be attributed to charge transfer from the lone pair orbital n(O) of the base Oxygen into the vacant antibonding orbital σ*(OH) of the acid OH in the -O-H···O bonding. The Near IR concentration-dependent spectra demonstrate that the sample of 2-Bromohydroquinone is composed of -O-H···O bonded species and dissociate into non-bonded species as the mole fraction of the solvent (acetonitrile/1,4-dioxane) is increased. The band observed at 7095 cm-1 at 0.09 M is identified as the first overtone of the -O-H stretching mode of the weak complex of 2-Bromohydroquinone and acetonitrile. The solvent effects on all the observed solution-phase NIR spectra are not ruled out. In addition to this study using 2-Bromobenzene-1,4-diol, there are many other studies that have used 2-Bromobenzene-1,4-diol(cas: 583-69-7SDS of cas: 583-69-7) was used in this study.

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Some of these compounds are identical to man-made organobromine compounds, such as methyl bromide, bromoform, and bromophenols, but many others are entirely new moleclar entities, often possessing extraordinary and important biological properties. SDS of cas: 583-69-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《A Copper(I)-Catalyzed Radical-Relay Reaction Enabling the Intermolecular 1,2-Alkylborylation of Unactivated Olefins》 was written by Akiyama, Sota; Oyama, Natsuki; Endo, Tsubura; Kubota, Koji; Ito, Hajime. Name: Ethylbromofluoroacetate And the article was included in Journal of the American Chemical Society on April 7 ,2021. The article conveys some information:

The 1st catalytic intermol. 1,2-alkylborylation reaction via a radical-relay mechanism between unactivated olefins, bis(pinacolato)diboron, and an alkyl electrophile is reported. Successful implementation of this method requires that the competing boryl substitution of the alkyl electrophile is retarded to facilitate the radical relay. This challenge was overcome using electronically or sterically demanding alkyl electrophiles, which results in the simultaneous and highly regioselective introduction of a gem-difluoro, monofluoro, tertiary, or secondary alkyl group and a boryl group across the C:C double bond.Ethylbromofluoroacetate(cas: 401-55-8Name: Ethylbromofluoroacetate) was used in this study.

Ethylbromofluoroacetate(cas: 401-55-8) is a member of organofluorine compounds. Organofluorine compounds, which have carbon-fluorine bonds, show unique features such as high thermal and chemical stability, high surface activity, no light-absorbing ability, high pharmacological effect, and so on. Owing to their specific characters, they are indispensable chemicals for industry and our daily lives.Name: Ethylbromofluoroacetate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Application of 6630-33-7In 2020 ,《One-pot multicomponent synthesis of a new series of curcumin-derived 4H-pyrans under ambient conditions》 appeared in Journal of Heterocyclic Chemistry. The author of the article were Brahmachari, Goutam; Mandal, Mullicka. The article conveys some information:

The design and synthesis of a new series of pharmaceutically interesting curcumin-derived 4H-pyrans I (R = H, 2-Br, 4-Br, 4-Cl, 2,4-Cl2, 2-F, 4-F, 4-CF3) have been accomplished via a one-pot tandem reaction between curcumin, aromatic aldehydes, and malononitrile under the influence of sodium formate as a mild base in ethanol at ambient conditions. Operational simplicity, mild reaction conditions, use of a cheap and nontoxic organo-catalyst, and eco-friendly solvent, and easy isolation of target products are the key benefits associated with the process. In the part of experimental materials, we found many familiar compounds, such as o-Bromobenzaldehyde(cas: 6630-33-7Application of 6630-33-7)

o-Bromobenzaldehyde(cas: 6630-33-7) is used in L-threonine aldolase-catalyzed enantio/diastereoselective aldol reactions.Application of 6630-33-7It is also used in L-threonine aldolase-catalyzed enantio and diastereoselective aldol reactions. Further, it reacts with trichloromethane to prepare 1-(2-bromo-phenyl)-2,2,2-trichloro-ethanol.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hassan, Mohamed; Krieg, Sara-Cathrin; Ndefo Nde, Cedric; Roos, Jessica; Maier, Thorsten J.; El Rady, Eman A.; Raslan, Mohamed A.; Sadek, Kamal U.; Manolikakes, Georg published an article in 2021. The article was titled 《Streamlined One-Pot Synthesis of Nitro Fatty Acids》, and you may find the article in European Journal of Organic Chemistry.Computed Properties of C4H7BrO2 The information in the text is summarized as follows:

A novel method for the synthesis of nitro fatty acids (NFAs), an intriguing class of endogenously occurring lipid mediators, is reported. This one-pot procedure enables the controlled and stereoselective construction of nitro fatty acids from a simple set of common building blocks in a highly facile manner. Thereby, this methodol. offers a streamlined, highly modular access to naturally occurring nitro fatty acids as well as non-natural NFA 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

The author of 《Glycine-betaine-derived ionic liquids: Synthesis, characterization and ecotoxicological evaluation》 were Parajo, Juan J.; Macario, Ines P. E.; De Gaetano, Yannick; Dupont, Laurent; Salgado, Josefa; Pereira, Joana L.; Goncalves, Fernando J. M.; Mohamadou, Aminou; Ventura, Sonia P. M.. And the article was published in Ecotoxicology and Environmental Safety in 2019. SDS of cas: 2969-81-5 The author mentioned the following in the article:

Ionic Liquids (ILs) are generically regarded as environmentally “”harmless”” and thus, assumed as “”non-toxic””. However, due to the endless design possibilities, their ecotoxicol. profile is still poorly known. An accurate knowledge on the toxicity of a substance is required, under the scope of environmental regulation worldwide, before their application and commercialization. Knowledge on the relationship between the chem. structure and toxic effects is essential for the future design of more biocompatible solvents. Focusing on the use of ILs as base lubricants, lubricant additives, or even as potential working fluids for absorption heat pumps, the knowledge on its environmental impact is of great importance, due to the possibility of spills. In this specific context, four analogs of glycine-betaine-based ILs (AGB-ILs) and four glycine-betaine based ILs (GB-ILs) were synthesized and characterized. Their ecotoxicity was assessed using representatives of two trophic levels in aquatic ecosystems, the bacteria Allivibrio fischeri (commonly used as a screening test organism) and the microalgae Raphidocelis subcapitata (as an alternative test organism that has been proven very sensitive to several IL families). The microalgae were more sensitive than the bacteria, hence, following a precautionary principle, we recommend considering the toxicity towards microalgae as an indicator in future studies regarding the focused ILs. Although four of the studied ILs were derived from a natural amino acid, all were considered hazardous for the aquatic environment, disproving the primary theory that all ILs derived from natural compounds are benign. Furthermore, the modification in the structure of anion and the cation can lead to the increase of toxicity. In addition to this study using Ethyl 4-bromobutyrate, there are many other studies that have used Ethyl 4-bromobutyrate(cas: 2969-81-5SDS of cas: 2969-81-5) was used in this study.

Ethyl 4-bromobutyrate(cas: 2969-81-5) belongs to bromides. 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.SDS of cas: 2969-81-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2018,Rao, Xiaofeng; Li, Naikai; Bai, Heng; Dai, Chaodi; Wang, Zheng; Tang, Wenjun published 《Efficient Synthesis of (-)-Corynoline by Enantioselective Palladium-Catalyzed α-Arylation with Sterically Hindered Substrates》.Angewandte Chemie, International Edition published the findings.Recommanded Product: 1-Bromo-2-isopropylbenzene The information in the text is summarized as follows:

Sterically hindered substrates can be employed in an enantioselective palladium-catalyzed α-arylation with the chiral monophosphorus ligand BI-DIME. This process enabled an efficient synthesis of the antidepressant (S)-nafenodone (I), a four-step enantioselective synthesis of the Sceletium alkaloid (+)-sceletium A-4 (II), a concise five-step enantioselective synthesis of (-)-corynoline (III), as well as a three-step preparation of (-)-DeN-corynoline (IV).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.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Alkyl bromides are mainly used as alkylating agents and also find application as a solvent to extract oil from seeds and wool. Recommanded Product: 1-Bromo-2-isopropylbenzene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2016,Brullo, Chiara; Ricciarelli, Roberta; Prickaerts, Jos; Arancio, Ottavio; Massa, Matteo; Rotolo, Chiara; Romussi, Alessia; Rebosio, Claudia; Marengo, Barbara; Pronzato, Maria Adelaide; van Hagen, Britt T. J.; van Goethem, Nick P.; D’Ursi, Pasqualina; Orro, Alessandro; Milanesi, Luciano; Guariento, Sara; Cichero, Elena; Fossa, Paola; Fedele, Ernesto; Bruno, Olga published 《New insights into selective PDE4D inhibitors: 3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-(2-(2,6-dimethylmorpholino)-2-oxoethyl) oxime (GEBR-7b) structural development and promising activities to restore memory impairment》.European Journal of Medicinal Chemistry published the findings.Category: bromides-buliding-blocks The information in the text is summarized as follows:

Phosphodiesterase type 4D (PDE4D) has been indicated as a promising target for treating neurodegenerative pathologies such as Alzheimer’s Disease (AD). By preventing cAMP hydrolysis, PDE4 inhibitors (PDE4Is) increase the cAMP response element-binding protein (CREB) phosphorylation, synaptic plasticity and long-term memory formation. Pharmacol. and behavioral studies on the authors’ hit GEBR-7b demonstrated that selective PDE4DIs could improve memory without causing emesis and sedation. The hit development led to new mol. series, herein reported, characterized by a catechol structure bonded to five member heterocycles. Mol. modeling studies highlighted the pivotal role of a polar alkyl chain in conferring selective enzyme interaction. Compound 1-{3-[3-(cyclopentyloxy)-4-methoxyphenyl]-1H-pyrazol-1-yl}-3-morpholin-4-ylpropan-2-oldihydrochloride (8a) showed PDE4D3 selective inhibition and was able to increase intracellular cAMP levels in neuronal cells, as well as in the hippocampus of freely moving rats. Furthermore, 8a was able to readily cross the blood-brain barrier and enhanced memory performance in mice without causing any emetic-like behavior. These data support the view that PDE4D is an adequate mol. target to restore memory deficits in different neuropathologies, including AD, and also indicate compound 8a as a promising candidate for further preclin. development. After reading the article, we found that the author used Methyl 3-bromopropanoate(cas: 3395-91-3Category: bromides-buliding-blocks)

Methyl 3-bromopropanoate(cas: 3395-91-3) 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.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhang, Huihui; Wang, Min; Wu, Xinxin; Zhu, Chen published an article on February 15 ,2021. The article was titled 《Heterocyclization reagents for rapid assembly of N-fused heteroaromatic compounds from alkenes》, and you may find the article in Angewandte Chemie, International Edition.Formula: C4H6BrFO2 The information in the text is summarized as follows:

N-Fused heterocycles are of particular use and upmost importance in multiple fields. Herein, we disclose a conceptually new approach for the rapid assembly of N-fused heteroaromatic compounds from alkenes. A portfolio of strategically designed heterocyclization reagents are readily prepared for the cascade reaction. A plethora of N-fused heteroaromatic compounds including seven types of heterocyclic core are furnished. The protocol features a broad functional-group compatibility and high product diversity, and provides a practical tool for late-stage heteroaryl compound elaboration. After reading the article, we found that the author used Ethylbromofluoroacetate(cas: 401-55-8Formula: C4H6BrFO2)

Ethylbromofluoroacetate(cas: 401-55-8) is a member of organofluorine compounds. Organofluorine compounds, which have carbon-fluorine bonds, show unique features such as high thermal and chemical stability, high surface activity, no light-absorbing ability, high pharmacological effect, and so on. Owing to their specific characters, they are indispensable chemicals for industry and our daily lives.Formula: C4H6BrFO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Automated grindstone chemistry: a simple and facile way for PEG-assisted stoichiometry-controlled halogenation of phenols and anilines using N-halosuccinimides》 were Das, Dharmendra; Bhosle, Akhil A.; Chatterjee, Amrita; Banerjee, Mainak. And the article was published in Beilstein Journal of Organic Chemistry in 2022. Computed Properties of C6H5BrO2 The author mentioned the following in the article:

A simple elec. mortar-pestle was used for the development of a green and facile mechanochem. route for the catalyst-free halogenation of phenols and anilines via liquid-assisted grinding using PEG-400 as the grinding auxiliary. A series of mono-, di-, and tri-halogenated phenols and anilines was synthesized in good to excellent yields within 10-15 min in a chemoselective manner by controlling the stoichiometry of N-halosuccinimides (NXS, X = Br, I, and Cl). It was observed that PEG-400 plays a key role in controlling the reactivity of the substrates and to afford better regioselectivity. Almost exclusive para-selectivity was observed for the aromatic substrates with free o- and p-positions for mono- and dihalogenations. As known, the decarboxylation (or desulfonation) was observed in the case of salicylic acids and anthranilic acids (or sulfanilic acids) leading to 2,4,6-trihalogenated products when 3 equiv of NXS was used. Simple instrumentation, metal-free approach, cost-effectiveness, atom economy, short reaction time, and mild reaction conditions are a few noticeable merits of this environmentally sustainable mechanochem. protocol. In the part of experimental materials, we found many familiar compounds, such as 2-Bromobenzene-1,4-diol(cas: 583-69-7Computed Properties of C6H5BrO2)

2-Bromobenzene-1,4-diol(cas: 583-69-7) 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. Computed Properties of C6H5BrO2 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

Zhao, Guofeng; Wu, Yi; Wu, Hai-Hong; Yang, Junfeng; Zhang, Junliang published their research in Journal of the American Chemical Society in 2021. The article was titled 《Pd/GF-Phos-Catalyzed Asymmetric Three-component Coupling Reaction to Access Chiral Diarylmethyl Alkynes》.Computed Properties of C9H11Br The article contains the following contents:

Herein, a Pd-catalyzed enantioselective three-component coupling of N-tosylhydrazone, aryl halide and terminal alkyne under mild conditions utilizing a novel chiral sulfinamide phosphine ligand (GF-Phos), which provided a facile access to chiral diarylmethyl alkynes, the useful synthons in organic synthesis as well as exists as skeleton in many bioactive mols. was reported. A pair of enantiomers of the product could be easily prepared using the same chiral ligand by simply changing the aryl substituents of the N-tosylhydrazone, aryl halide. The salient features of this reaction included the readily available starting materials, general substrate scope, high enantioselectivity, ease of scale up, mild reaction conditions and versatile transformations. After reading the article, we found that the author used 1-Bromo-2-isopropylbenzene(cas: 7073-94-1Computed Properties of C9H11Br)

1-Bromo-2-isopropylbenzene(cas: 7073-94-1) 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. Computed Properties of C9H11Br In contrast, terrestrial plants account only for a few bromine-containing compounds.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary