Tag: 100-200

Application of 6630-33-7In 2019 ,《1JCH Coupling in Benzaldehyde Derivatives: Ortho Substitution Effect》 was published in ACS Omega. The article was written by Nepel, Angelita; Viesser, Renan V.; Tormena, Claudio F.. The article contains the following contents:

The natural J-coupling (NJC) method is applied to analyze the Fermi contact contribution of the NMR spin-spin coupling constant decomposing this contribution in terms of natural localized MOs. We investigated the influence of the basis set on the NJC anal. for the formyl group coupling constant (1JCHf) of benzaldehyde derivatives NJC and other NBO analyses, like steric and natural Coulombic energy, were chosen to explain the influence of electron-donating and electron-withdrawing groups on 1JCHf for some substituted benzaldehydes (Me, OH, OMe, F, Cl, Br, I, and NO2). For the ortho derivatives, electroneg. substituents near the C-Hf bond increase the 1JCHf coupling. This effect could be related to an increase in formyl carbon s character and changes in the carbon and hydrogen natural charges. This indicates that the substituents in ortho have a proximity effect on 1JCHf coupling mainly of electrostatic origin instead of the expected hyperconjugative interactions. The experimental process involved the reaction of 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

Gao, Nanxing; Li, Yanshun; Teng, Dawei published an article in 2022. The article was titled 《Nickel-catalysed cross-electrophile coupling of aryl bromides and primary alkyl bromides》, and you may find the article in RSC Advances.Related Products of 7051-34-5 The information in the text is summarized as follows:

The structure of primary alkylated arenes plays an important role in the mol. action of drugs and natural products. The nickel/spiro-bidentate-pyox catalyzed cross-electrophile coupling of aryl bromides and primary alkyl bromides was developed for the formation of the Csp2-Csp3 bond, which provided an efficient method for the synthesis of primary alkylated arenes. The reactions could tolerate functional groups such as ester, aldehyde, ketone, ether, benzyl, and imide. After reading the article, we found that the author used (Bromomethyl)cyclopropane(cas: 7051-34-5Related Products of 7051-34-5)

(Bromomethyl)cyclopropane(cas: 7051-34-5) is used as a synthetic building block for the introduction of the cyclopropylmethyl group. It was also used in the synthesis of 1,4-dienes via iron-catalyzed cross-coupling with alkenyl Grignard reagents.Related Products of 7051-34-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Xin, Luoting; Wan, Wan; Yu, Yinghua; Wan, Qiuling; Ma, Liyao; Huang, Xueliang published their research in ACS Catalysis in 2021. The article was titled 《Construction of Protoberberine Alkaloid Core through Palladium Carbene Bridging C-H Bond Functionalization and Pyridine Dearomatization》.SDS of cas: 6630-33-7 The article contains the following contents:

Compounds, e.g. I with a pyridoisoquinolinone core often appear as members of the protoberberine alkaloid family. Traditional methods to construct this framework normally rely on manipulation of sophisticated reactants. Herein, a palladium-catalyzed reaction of readily available pyridotriazoles and o-bromo/pseudohalo benzaldehydes is described, which provides a modular approach to pyridoisoquinolinone derivatives This methodol. provides a concise synthetic route to prepare protoberberine-type alkaloids. The role of pyridotriazole is 2-fold, acting as a relay reagent to promote C-H bond functionalization and undergoing pyridine dearomatization to construct the polycyclic system. The experimental part of the paper was very detailed, including the reaction process of o-Bromobenzaldehyde(cas: 6630-33-7SDS of cas: 6630-33-7)

o-Bromobenzaldehyde(cas: 6630-33-7) is used in L-threonine aldolase-catalyzed enantio/diastereoselective aldol reactions.SDS of cas: 6630-33-7It is a key starting material in the total synthesis of an anticancer agent, (-)-taxol.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Enolizable Ketones as Activators of Palladium(II) Precatalysts in Amine Arylation Reactions》 was published in ACS Catalysis in 2020. These research results belong to Hu, Huaiyuan; Gilliam, Ashley M.; Qu, Fengrui; Shaughnessy, Kevin H.. Name: 1-Bromo-2-isopropylbenzene The article mentions the following:

Enolizable ketones were identified as effective activators for palladium(II) precatalysts in the coupling of aryl bromides and aniline. N-arylation reactions catalyzed by [(DTBNpP)PdCl2]2 (DTBNpP = (bis(tert-butyl)neopentylphosphine)) and PEPPSI-IPr precatalysts were activated by the addition of acetone, mesityl oxide and 3-pentanone, the most effective activator. Mechanistic studies showed that acetone, 3-pentanone and mesityl oxide reduce [(DTBNpP)PdCl2]2 in the presence of NaO-tert-Bu to Pd0(DTBNpP)2. In the experiment, the researchers used 1-Bromo-2-isopropylbenzene(cas: 7073-94-1Name: 1-Bromo-2-isopropylbenzene)

1-Bromo-2-isopropylbenzene(cas: 7073-94-1) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Name: 1-Bromo-2-isopropylbenzene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Fine-Tuning the Linear Release Rate of Paclitaxel-Bearing Supramolecular Filament Hydrogels through Molecular Engineering》 were Chakroun, Rami W.; Wang, Feihu; Lin, Ran; Wang, Yin; Su, Hao; Pompa, Danielle; Cui, Honggang. And the article was published in ACS Nano in 2019. Related Products of 2623-87-2 The author mentioned the following in the article:

One key design feature in the development of any local drug delivery system is the controlled release of therapeutic agents over a certain period of time. In this context, we report the characteristic feature of a supramol. filament hydrogel system that enables a linear and sustainable drug release over the period of several months. Through covalent linkage with a short peptide sequence, we are able to convert an anticancer drug, paclitaxel (PTX), to a class of prodrug hydrogelators with varying critical gelation concentrations These self-assembling PTX prodrugs associate into filamentous nanostructures in aqueous conditions and consequently percolate into a supramol. filament network in the presence of appropriate counterions. The intriguing linear drug release profile is rooted in the supramol. nature of the self-assembling filaments which maintain a constant monomer concentration at the gelation conditions. We found that mol. engineering of the prodrug design, such as varying the number of oppositely charged amino acids or through the incorporation of hydrophobic segments, allows for the fine-tuning of the PTX linear release rate. In cell studies, these PTX prodrugs can exert effective cytotoxicity against glioblastoma cell lines and also primary brain cancer cells derived from patients and show enhanced tumor penetration in a cancer spheroid model. We believe this drug-bearing hydrogel platform offers an exciting opportunity for the local treatment of human diseases. The results came from multiple reactions, including the reaction of 4-Bromobutanoic acid(cas: 2623-87-2Related Products of 2623-87-2)

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.).Related Products of 2623-87-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Iminyl Radicals by Reductive Cleavage of N-O Bond in Oxime Ether Promoted by SmI2: A Straightforward Synthesis of Five-Membered Cyclic Imines》 were Huang, Fei; Zhang, Songlin. And the article was published in Organic Letters in 2019. Related Products of 2623-87-2 The author mentioned the following in the article:

A new generation method of N-centered radicals from the reductive cleavage of the N-O bond in oxime ether promoted by SmI2 is reported for the first time. The in-situ-generated N-centered radicals underwent intramol. cyclization to afford five-membered cyclic imines in two manners: N-centered radical addition and N-centered anion nucleophilic substitution. From a synthetic point of view, an efficient synthetic method of five-membered cyclic imines was developed. A mechanism of the transformation was proposed. In the experiment, the researchers used many compounds, for example, 4-Bromobutanoic acid(cas: 2623-87-2Related Products of 2623-87-2)

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.).Related Products of 2623-87-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Broad-spectrum monoclonal antibody and a sensitive multi-residue indirect competitive enzyme-linked immunosorbent assay for the antibacterial synergists in samples of animal origin》 were Han, Xiaoya; Sheng, Feng; Kong, Dexin; Wang, Yulian; Pan, Yuanhu; Chen, Mo; Tao, Yanfei; Liu, Zhenli; Ahmed, Saeed; Yuan, Zonghui; Peng, Dapeng. And the article was published in Food Chemistry in 2019. Application of 2969-81-5 The author mentioned the following in the article:

To monitor the abuse of antibacterial synergists, a hapten, trimethoprim carboxylic derivative (TMPCOOH), was designed by using mol. modeling technol. A broad-spectrum monoclonal antibody (mAb) TMP/2G1 was prepared, for which the IC50 values of trimethoprim, diaveridine, aditoprim, baquiloprim, ormetoprim, and brodimoprim were 0.232, 0.527, 1.479, 4.354, 0.965, and 0.119 μg L-1, resp. Based on the broad spectrum mAb, an indirect competitive ELISA (ic-ELISA) was developed to determine the residues of antibacterial synergists. The limit of detection regarding the developed ic-ELISA for antibacterial synergists ranged from 0.025 to 1.126 μg L-1 in milk, honey and edible animal tissues. The recoveries ranged from 81.4% to 107.7%, with a coefficient of variation less than 20%. A good correlation (R2 = 0.994) between the ic-ELISA and HPLC-MS/MS showed the reliability of the developed ic-ELISA. In the experiment, the researchers used many compounds, for example, Ethyl 4-bromobutyrate(cas: 2969-81-5Application of 2969-81-5)

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.Application of 2969-81-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2018,Vile, Gianvito; Richard-Bildstein, Sylvia; Lhuillery, Arnaud; Rueedi, Georg published 《Electrophile, Substrate Functionality, and Catalyst Effects in the Synthesis of α-Mono and Di-Substituted Benzylamines via Visible-Light Photoredox Catalysis in Flow》.ChemCatChem published the findings.COA of Formula: C9H11Br The information in the text is summarized as follows:

Herein, facile and one-pot synthesis of α-mono- and di-substituted benzylamines from cheap and readily available α-amino acids, via photocatalytic decarboxylative arylation in flow is reported. This enables to access intermediates and building blocks that are difficult to obtain via other synthetic routes, but are key for the manufacture of pharmaceuticals, agrochems., and fine chems. The optimal decarboxylative conditions were identified through a high-throughput evaluation of catalysts, organic or inorganic bases, ligands, and reaction parameters (i.e., contact time, temperatures, and photoelectron power). The reaction turned out to be electronically controlled as the yields increased with increasing electron-d. on the aryl moiety. The results were correlated with the redox properties of the photocatalysts, deriving catalyst structure-performance relationships which can facilitate the future identification of even better materials. In addition, compared to traditional batch chem., the use of a flow protocol led to quicker reactions (30 min instead of 12-72 h) and ensured more predictable reaction scale-ups. In the experiment, the researchers used many compounds, for example, 1-Bromo-2-isopropylbenzene(cas: 7073-94-1COA of Formula: C9H11Br)

1-Bromo-2-isopropylbenzene(cas: 7073-94-1) 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. COA of Formula: C9H11Br

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Product Details of 7051-34-5In 2022 ,《One-Pot Synthesis of Thio-Augmented Sulfonylureas via a Modified Bunte’s Reaction》 was published in ACS Omega. The article was written by Iyer, Malliga R.; Bhattacharjee, Pinaki; Kundu, Biswajit; Rutland, Nicholas; Wood, Casey M.. The article contains the following contents:

Authors report the development of a one-pot Bunte’s reaction-enabled expeditious platform under aqueous conditions for the scalable conversion of sulfonylureas to synthetically versatile thio-sulfonylureas. The reaction was further propagated in the same pot to yield diverse chiral and achiral isothiosulfonyl analogs. The protocol enabled the synthesis of various drug-like mols. and was applied to an enantiomeric synthesis of a cannabinoid receptor antagonist SLV326. In the part of experimental materials, we found many familiar compounds, such as (Bromomethyl)cyclopropane(cas: 7051-34-5Product Details of 7051-34-5)

(Bromomethyl)cyclopropane(cas: 7051-34-5) is used as a synthetic building block for the introduction of the cyclopropylmethyl group. It was also used in the synthesis of 1,4-dienes via iron-catalyzed cross-coupling with alkenyl Grignard reagents.Product Details of 7051-34-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Computed Properties of C9H11BrIn 2020 ,《Fine Tuning of Chiral Bis(N-heterocyclic carbene) Palladium Catalysts for Asymmetric Suzuki-Miyaura Cross-Coupling Reactions: Exploring the Ligand Modification》 was published in Organometallics. The article was written by Zhang, Dao; Yu, Jueqin. The article contains the following contents:

Novel chiral N,N’-bisaryl bis(NHC) ligand precursors H2[(S)-2]Cl2 on a spiro scaffold and H2[(S)-3b-g]Cl2 with a binaphthyl linkage were rationally designed and their cyclometalated cis-chelated NHC Pd complexes (S)-5, (S)-6, and (S)-7b-g were synthesized and fully characterized. Complexes 6 and 7b were further confirmed by x-ray single-crystal anal. Both complexes adopted a slightly distorted square planar geometry around the Pd(II) center. The structure of 6 consists of a rare dimeric arrangement incorporating two Pd(II) centers bonded through a short metal-metal bond (2.853(2) Å), indicating a PdII-PdII intramol. interaction (<3.00 Å). These N,N'-bisaryl-bis(NHC)-Pd complexes together with N,N'-bisalkyl analogs {[(S)-1a-d]PdX2} (X = I, (S)-4a; X = Br, (S)-4b-d) were used in the asym. aryl-aryl cross-coupling reactions of arylboronic acids and aryl halides. The enantioselectivity of the biaryl products was greatly improved within 24 h (up to 74% ee) when complexes 7a-g were used as catalysts. For these types of bis(NHC) Pd catalysts the structural characters of the chiral scaffolds play a decisive role in the enantioselectivities of cross-coupling reactions. 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.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Computed Properties of C9H11Br 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