Tag: 100-200

Application In Synthesis of Thiophene-2-sulfonyl chlorideIn 2022 ,《The performance of different AgTiO2 loading into poly(3-nitrothiophene) for efficient adsorption of hazardous brilliant green and crystal violet dyes》 appeared in International Journal of Polymer Science. The author of the article were Alqarni, Sara A.. The article conveys some information:

The in-situ polymerization technol. was used to successfully produce nanostructured binary nanocomposites (NCs) made from a poly(3-nitrothiophen) matrix (P3NT) that were loaded effectively with nanoparticles (NPs) of silver titanium dioxide (AgTiO2), of varying percentages (10%, 20%, and 30%). A uniform coating of P3NT covers the AgTiO2 NPs. Various methods were performed to confirm the fabrication of the binary P3NT/AgTiO2 NCs adsorbents, such as FTIR, XRD, SEM, and EDX. Both dyes (brilliant green (B.G.) and crystal violet (C.V.)) were removed from liquid media by using the binary P3NT/AgTiO2 NCs. A range of batch adsorption studies was used to optimize various factors that impact the elimination of B.G. or C.V. dyes, including the pH, weight of the binary P3NT/AgTiO2 NC, proportion of AgTiO2 NP, time, and temperature The pseudo-second-order kinetics (R2 = 0.999) was better adapted for the adsorption procedure’s empirical data whereby the maximum adsorption capacity of the C.V. dye was 43.10 mg/g and (R2 = 0.996) the maximum adsorption potential was 40.16 mg/g for B.G. dye, succeeded by the pseudo-second-order kinetics. Moreover, the adhesion of B.G. and C.V. pigments on the layers of NCs involves an endothermic reaction. In addition, the concocted adsorbent not only exhibited strong adsorption characteristics during four consecutive cycles but also possessed a higher potential for its reuse. After reading the article, we found that the author used Thiophene-2-sulfonyl chloride(cas: 16629-19-9Application In Synthesis of Thiophene-2-sulfonyl chloride)

Thiophene-2-sulfonyl chloride(cas: 16629-19-9) is a member of sulfonyl chlorides. Sulfonyl chlorides are reactive sulfonic acid derivatives similar in properties and reactivity to acid chlorides of carboxylates. The sulfonic acid group, however, is a highly hindered molecule, containing a tetrahedral configuration of substituents. Application In Synthesis of Thiophene-2-sulfonyl chloride

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Long, Zhou-Qing; Yang, Lin-Li; Zhang, Jun-Rong; Liu, Shi-Tao; Jiao Xie; Wang, Pei-Yi; Zhu, Jian-Jun; Shao, Wu-Bin; Liu, Li-Wei; Yang, Song published their research in Journal of Agricultural and Food Chemistry in 2021. The article was titled 《Fabrication of Versatile Pyrazole Hydrazide Derivatives Bearing a 1,3,4-Oxadiazole Core as Multipurpose Agricultural Chemicals against Plant Fungal, Oomycete and Bacterial Diseases》.HPLC of Formula: 5781-53-3 The article contains the following contents:

An array of versatile pyrazole hydrazide derivatives bearing a 1,3,4-oxadiazole core I [R = Ph, 3-FC6H4, 4-MeOC6H4, etc.; R1 = 1H-pyrrol-2-yl, 1H-indol-2-yl, 3-(difluoromethyl)-1-methyl-pyrazol-4-yl, etc.] were initially synthesized and biol. evaluated the antifungal, antioomycetes and antibacterial activities. In addition, the pyrazole ring was replaced by the correlative pyrrole, thiazole and indole scaffolds to extend the mol. diversity. The results showed that most of these hybrid compounds were empowered with multifunctional bioactivities. For the antifungal activity, the minimal EC50 values could afford against the corresponding fungi Gibberella zeae, Fusarium oxysporum, Botryosphaeria dothidea and Rhizoctonia solani. In vivo pot experiments against corn scab (caused by G. z.) revealed that the compound I [R = 2-FC6H4; R1 = 3-(difluoromethyl)-1-methyl-pyrazol-4-yl] was effective with protective and curative activities of 90.2 and 86.3% at 200μg/mL, which was comparable to those of fungicides boscalid and fluopyram. Further mol. docking study and enzymic activity anal. indicated that target compounds were promising succinate dehydrogenase inhibitors. Addnl., compounds I [R = Ph, 4-FC6H4; R1 = 3-(difluoromethyl)-1-methyl-pyrazol-4-yl, 1-methyl-3-(trifluoromethyl)pyrazol-4-yl] yielded superior anti-oomycete and antibacterial activities toward Phytophora infestins and Xanthomonas oryzae pv. oryzae with EC50 values of 2.92 and 8.43μg/mL, resp. In vivo trials against rice bacterial blight provided the control efficiency within 51.2-55.3% at 200μg/mL, which were better than that of bismerthiazol. Given their multipurpose characteristics, these structures should be pos. explored as agricultural chems. After reading the article, we found that the author used Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3HPLC of Formula: 5781-53-3)

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. In the laboratory, acyl chlorides are generally prepared by treating carboxylic acids with thionyl chloride (SOCl2). The reaction is catalyzed by dimethylformamide and other additives.HPLC of Formula: 5781-53-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Steeneck, Christoph; Kinzel, Olaf; Anderhub, Simon; Hornberger, Martin; Pinto, Sheena; Morschhaeuser, Barbara; Albers, Michael; Sonnek, Christina; Czekanska, Marta; Hoffmann, Thomas published an article in 2021. The article was titled 《Discovery and optimization of substituted oxalamides as novel heme-displacing IDO1 inhibitors》, and you may find the article in Bioorganic & Medicinal Chemistry Letters.Application In Synthesis of Methyl 2-chloro-2-oxoacetate The information in the text is summarized as follows:

Since the advent of antibody checkpoint inhibitors as highly efficient drugs for cancer treatment, the development of immunomodulating small mols. in oncol. has gained great attention. Drug candidates targeting IDO1, a key enzyme in tryptophan metabolism, are currently under clin. investigation in combination with PD-1/PD-L1 agents as well as with other established anti-tumor therapeutics. A ligand based design approach from hydroxyamidine 4 that aimed at heme-binding IDO1 inhibitors resulted in new compounds with moderate IDO1 potency. A hybrid structure design that made use of the linrodostat structure (2) led to oxalamide derived, heme-displacing IDO1 inhibitors with high cell-based IDO1 potency and a favorable ADME/PK profile. In addition to this study using Methyl 2-chloro-2-oxoacetate, there are many other studies that have used Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3Application In Synthesis of Methyl 2-chloro-2-oxoacetate) was used in this study.

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. Lacking the ability to form hydrogen bonds, acyl chlorides have lower boiling and melting points than similar carboxylic acids. For example, acetic acid boils at 118 °C, whereas acetyl chloride boils at 51 °C. Like most carbonyl compounds, infrared spectroscopy reveals a band near 1750 cm−1.Application In Synthesis of Methyl 2-chloro-2-oxoacetate

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

He, Xianglong; Gao, Yanjing; Nie, Jun; Sun, Fang published an article in 2021. The article was titled 《Methyl Benzoylformate Derivative Norrish Type I Photoinitiators for Deep-Layer Photocuring under Near-UV or Visible LED》, and you may find the article in Macromolecules (Washington, DC, United States).Formula: C3H3ClO3 The information in the text is summarized as follows:

We designed and prepared a series of Me benzoylformate (MBF) derivatives Norrish type I photoinitiators (MBFs) for light-emitting diode (LED)-induced photopolymerization through computer simulation. The potential photolysis mechanism of MBFs under LED at 405 nm was explored by steady-state photolysis, NMR, and ESR. The as-synthesized photoinitiator di-Me 1,4-dibenzoylformate (DM-BD-F) can efficiently initiate free radical photopolymerization of acrylate monomers under LED irradiation at 405 nm. Moreover, we predicted well the photoinitiating capability of MBFs through the cleavage exothermy (ΔH) calculated by triplet bond dissociation energy (BDE) and triplet energy (ET). Significantly, based on the weak absorption of MBFs at 405 nm, MBFs were successfully applied to deep-layer photocuring and the curing depth reached 6.5 cm after the irradiation of LED at 405 nm for 30 s. This research provides a new idea and efficient strategy for the mol. design of photoinitiators for deep-layer photocuring. In the experimental materials used by the author, we found Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3Formula: C3H3ClO3)

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. Lacking the ability to form hydrogen bonds, acyl chlorides have lower boiling and melting points than similar carboxylic acids. For example, acetic acid boils at 118 °C, whereas acetyl chloride boils at 51 °C. Like most carbonyl compounds, infrared spectroscopy reveals a band near 1750 cm−1.Formula: C3H3ClO3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Gillaizeau-Simonian, Nicolas; Barde, Etienne; Guerinot, Amandine; Cossy, Janine published their research in Chemistry – A European Journal in 2021. The article was titled 《Cobalt-Catalyzed 1,4-Aryl Migration/Desulfonylation Cascade: Synthesis of α-Aryl Amides》.Product Details of 16629-19-9 The article contains the following contents:

A cobalt-catalyzed 1,4-aryl migration/disulfonylation cascade applied to α-bromo N-sulfonyl amides was developed. The reaction was highly chemoselective, allowed the preparation of α-aryl amides possessed a variety of functional groups. The method was used as the key step to synthesize an alkaloid, (±)-deoxyeseroline. Mechanistic investigations suggested a radical process. In the part of experimental materials, we found many familiar compounds, such as Thiophene-2-sulfonyl chloride(cas: 16629-19-9Product Details of 16629-19-9)

Thiophene-2-sulfonyl chloride(cas: 16629-19-9) is a member of sulfonyl chlorides. Sulfonyl chlorides are reactive sulfonic acid derivatives similar in properties and reactivity to acid chlorides of carboxylates. The sulfonic acid group, however, is a highly hindered molecule, containing a tetrahedral configuration of substituents. Product Details of 16629-19-9

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Singh, Pankaj Kumar; Chaudhari, Dasharath; Jain, Sanyog; Silakari, Om published an article in Bioorganic & Medicinal Chemistry Letters. The title of the article was 《Structure based designing of triazolopyrimidone-based reversible inhibitors for kinases involved in NSCLC》.SDS of cas: 620-20-2 The author mentioned the following in the article:

Secondary acquired mutant EGFR (L858R-T790M) overexpressed NSCLC forms one of the prevalent form of resistant NSCLC. Another subset of resistant NSCLC includes amplified cMET in mutant EGFR derived tumors. Thus, in continuation to our previous work on these two major targets of resistant NSCLC, i.e., EGFR (L858R-T790M) and cMET, we are hereby reporting reversible inhibitors of these kinases. Out of 11 lead mols. reported in our previous study, we selected triazolo-pyrimidone (BAS 09867482) scaffold for further development of small mol. dual and reversible inhibitors. Analogs of lead with different substituents on the side ring were sketched and docked in both the target kinases, followed by mol. dynamic simulations. Analogs maintaining hydrophobic interaction with M790 in secondary acquired mutant EGFR (L858R-T790M) were selected and duly synthesized. In vitro biochem. evaluation of these mols. against EGFR (L858R-T790M) and cMET kinase, along with EGFR (L858R) kinase disclosed that three mols. were having significant dual kinase inhibitory potential with IC50 values well below 100 nM. Further, in vitro anti-proliferative assay against three cell lines (A549, A431 and H460) was performed. Out of all, two compounds were having significant potency against these cell lines. In the experiment, the researchers used 3-Chlorobenzylchloride(cas: 620-20-2SDS of cas: 620-20-2)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.SDS of cas: 620-20-2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

In 2019,Chemical Communications (Cambridge, United Kingdom) included an article by Shen, Ni; Cheung, Chi Wai; Ma, Jun-An. Name: 3-Chloro-4-fluoronitrobenzene. The article was titled 《Direct amide synthesis via Ni-mediated aminocarbonylation of arylboronic acids with CO and nitroarenes》. The information in the text is summarized as follows:

An alternative and unconventional approach of an aminocarbonylation reaction to access aryl amides from readily available and low-cost arylboronic acids and nitroarenes was described. Nickel metal served as both reductant and catalyst in this direct aminocarbonylation. This protocol exhibited a good functional group compatibility and allows a variety of aryl amides to be synthesized, including several drug-like mols. In the part of experimental materials, we found many familiar compounds, such as 3-Chloro-4-fluoronitrobenzene(cas: 350-30-1Name: 3-Chloro-4-fluoronitrobenzene)

3-Chloro-4-fluoronitrobenzene(cas: 350-30-1) belongs to organochlorine compounds. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. Name: 3-Chloro-4-fluoronitrobenzene The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Cardoso, David S. P.; Kincses, Annamaria; Nove, Marta; Spengler, Gabriella; Mulhovo, Silva; Aires-de-Sousa, Joao; dos Santos, Daniel J. V. A.; Ferreira, Maria-Jose U. published an article on January 15 ,2021. The article was titled 《Alkylated monoterpene indole alkaloid derivatives as potent P-glycoprotein inhibitors in resistant cancer cells》, and you may find the article in European Journal of Medicinal Chemistry.Safety of 3-Chlorobenzylchloride The information in the text is summarized as follows:

Aiming at generating a series of monoterpene indole alkaloids with enhanced multidrug resistance (MDR) reversing activity in cancer, two major epimeric alkaloids isolated from Tabernaemontana elegans, tabernaemontanine and dregamine, were derivatized by alkylation of the indole nitrogen. Twenty-six new derivatives were prepared by reaction with different aliphatic and aromatic halides, whose structures were elucidated mainly by NMR, including 2D NMR experiments Their MDR reversal ability was evaluated through a functional assay, using as models resistant human colon adenocarcinoma and human ABCB1-gene transfected L5178Y mouse lymphoma cells, overexpressing P-glycoprotein (P-gp), by flow cytometry. A considerable increase of activity was found for most of the derivatives, being the strongest P-gp inhibitors those sharing N-phenethyl moieties, displaying outstanding inhibitory activity, associated with weak cytotoxicity. Chemosensitivity assays were also performed in a model of combination chemotherapy in the same cell lines, by studying the in vitro interactions between the compounds and the antineoplastic drug doxorubicin. Most of the compounds have shown strong synergistic interactions with doxorubicin, highlighting their potential as MDR reversers. QSAR models were also explored for insights on drug-receptor interaction, and it was found that lipophilicity and bulkiness features were associated with inhibitory activity, although linear correlations were not observed After reading the article, we found that the author used 3-Chlorobenzylchloride(cas: 620-20-2Safety of 3-Chlorobenzylchloride)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Safety of 3-Chlorobenzylchloride

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Computed Properties of C9H7ClN2OOn September 15, 2003 ,《Potent quinoxaline-based inhibitors of PDGF receptor tyrosine kinase activity. Part 1: SAR Exploration and Effective Bioisosteric Replacement of a phenyl substituent》 was published in Bioorganic & Medicinal Chemistry Letters. The article was written by Myers, Michael R.; He, Wei; Hanney, Barbara; Setzer, Natalie; Maguire, Martin P.; Zulli, Allison; Bilder, Glenda; Galzcinski, Helen; Amin, Dilip; Needle, Saul; Spada, Alfred P.. The article contains the following contents:

Novel substituted 2-anilino- and 2-cycloalkylaminoquinoxalines have been found to be useful and selective inhibitors of PDGF-R autophosphorylation. Replacement of an anilino-substituent with substituted cyclohexylamino- or norbornylamino substituents led to significant improvements in the pharmacokinetic profile of these analogs. In the experiment, the researchers used many compounds, for example, 2-Chloro-5-methoxyquinoxaline(cas: 76052-76-1Computed Properties of C9H7ClN2O)

2-Chloro-5-methoxyquinoxaline(cas: 76052-76-1) belongs to organochlorine compounds. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Computed Properties of C9H7ClN2O

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

《Novel pyrimidine derivatives bearing a 1,3,4-thiadiazole skeleton: design, synthesis, and antifungal activity》 was published in Frontiers in Chemistry (Lausanne, Switzerland) in 2022. These research results belong to Pan, Nianjuan; Liu, Chunyi; Wu, Ruirui; Fei, Qiang; Wu, Wenneng. Safety of 3-Chlorobenzylchloride The article mentions the following:

In this study, twenty novel pyrimidine derivatives bearing a 1,3,4-thiadiazole skeleton were designed and synthesized. Then their antifungal activity against Botrytis cinereal (B. cinereal), Botryosphaeria dothidea (B. dothidea), and Phomopsis sp. were determined using the poison plate technique. Biol. test results showed that I revealed lower EC50 values (25.9 and 50.8μg/mL) on Phompsis sp. than those of pyrimethanil (32.1 and 62.8μg/mL). In the part of experimental materials, we found many familiar compounds, such as 3-Chlorobenzylchloride(cas: 620-20-2Safety of 3-Chlorobenzylchloride)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Safety of 3-Chlorobenzylchloride

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics