Tag: 100-200

Lumma, William C. Jr.; Hartman, Richard D.; Saari, Walfred S.; Engelhardt, Edward L.; Lotti, Victor J.; Stone, Clement A. published an article on January 31 ,1981. The article was titled 《Piperazinylquinoxalines with central serotoninmimetic activity》, and you may find the article in Journal of Medicinal Chemistry.Quality Control of 2-Chloro-5-methoxyquinoxaline The information in the text is summarized as follows:

The piperazinylquinoxalines I (R = H, Ac, Me; R1 = H, OH (and the related ketone), CO2H; R2, R3 = H, Cl, NH2, CF3, SPh, OMe, F, etc.; m, n = 0, 1) were prepared by various methods. I were tested for selectivity in regards to serotonin reuptake blocking and serotoninmimetic activity. In general, introduction of a 6-substituent into I enhanced serotonin reuptake blocking activity and diminished serotoninmimetic activity. Unsubstituted I and I (R1 = OH) had primary serotoninmimetic activity. In addition to this study using 2-Chloro-5-methoxyquinoxaline, there are many other studies that have used 2-Chloro-5-methoxyquinoxaline(cas: 76052-76-1Quality Control of 2-Chloro-5-methoxyquinoxaline) was used in this study.

2-Chloro-5-methoxyquinoxaline(cas: 76052-76-1) belongs to organochlorine compounds. The wide structural variety and divergent chemical properties of organochlorides lead to a broad range of names, applications, and properties.Quality Control of 2-Chloro-5-methoxyquinoxaline Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.

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

Application of 620-20-2On March 17, 2021, Zhang, Xiao; Wang, Yiping; Xu, Zhiping; Shao, Xusheng; Liu, Zewen; Xu, Xiaoyong; Maienfisch, Peter; Li, Zhong published an article in Journal of Agricultural and Food Chemistry. The article was 《Design, Synthesis, and Synergistic Activity of Eight-Membered Oxabridge Neonicotinoid Analogues》. The article mentions the following:

Insecticide synergists are sought-after due to their potential in improving the pesticide control efficacy with a reduced dose of an active ingredient. We previously reported that a cis-configuration neonicotinoid (IPPA08) exhibited specific synergistic activity toward neonicotinoid insecticides. In this study, we synthesized a series of structural analogs of IPPA08 by converting the pyridyl moiety of IPPA08 into Ph groups, via facile double-Mannich condensation reactions between nitromethylene compounds and glutaraldehyde. All of the oxabridged neonicotinoid compounds were found to increase the toxicity of imidacloprid against Aphis craccivora. Notably, compound (I) at 0.75 mg/L lowered the LC50 value of imidacloprid against A. craccivora by 6.54-fold, while a 3.50-fold reduction of the LC50 value was observed for IPPA08. The results of bee toxicity test showed that compound I display selectivity in its effects on imidacloprid toxicity against the honey bee (Apis mellifera L.). In summary, replacing the pyridyl ring with a Ph ring was a viable approach to obtain a novel synergist with oxabridged moiety for neonicotinoid insecticides. The experimental process involved the reaction of 3-Chlorobenzylchloride(cas: 620-20-2Application of 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.Application of 620-20-2

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

Product Details of 350-30-1On September 2, 2020 ,《Synthesis, insecticidal evaluation and 3D-QASR of novel anthranilic diamides derivatives containing N-arylpyrrole as potential ryanodine receptor activators》 was published in Journal of Agricultural and Food Chemistry. The article was written by Wu, Changchun; Yu, Xiaobo; Wang, Baolei; Liu, Jingbo; Meng, Fanfei; Zhao, Yangyang; Xiong, Lixia; Yang, Na; Li, Yuxin; Li, Zhengming. The article contains the following contents:

The synthesis of novel anthranilic diamides derivatives I [R = HC, N, Cl-C; R4 = O2N, F3C, i-Pr, etc; R5 = Me, i-Pr] incorporating pyrrole moiety targeting at insect RyRs. The structures I were confirmed by 1H NMR, 13C NMR, 19F NMR and HRMS. The preliminary bioassay results indicated that most of the title compounds I showed good to excellent insecticidal activities against oriental armyworm (Mythimna separata) and diamondback moth (Plutella xylostella). For oriental armyworm, I [R = N; R4 = H; R5 = Me] displayed the same level of larvicidal activity as the pos. control chlorantraniliprole, with the LC50 value of 0.21 mg/L. For diamondback moth II [R5 = Me; X = Br], [R5 = i-Pr; X = Br], [R5 = Me; X = Cl] and [R5 = i-Pr; X = Cl] exhibited higher insecticidal activities than chlorantraniliprole. In particular, In had 50% larvicidal activity at 0.00001 mg/L. Calcium imaging technique was applied to study the effect of I [R = N; R4 = H; R5 = Me] and II [R5 = Me; X = Br, Cl] on the intracellular calcium ion concentration ([Ca2+]i) in central neurons isolated from oriental armyworm. The results indicated that the tested compoundsI and II, like chlorantraniliprole was activate the insect ryanodine receptors. Furthermore, comparative mol. field (CoMFA) anal. and d. functional theory (DFT) calculations were carried out to study the structure-activity relationship (SAR).3-Chloro-4-fluoronitrobenzene(cas: 350-30-1Product Details of 350-30-1) was used in this study.

3-Chloro-4-fluoronitrobenzene(cas: 350-30-1) belongs to organochlorine compounds. The wide structural variety and divergent chemical properties of organochlorides lead to a broad range of names, applications, and properties.Product Details of 350-30-1 Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.

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

Name: Thiophene-2-sulfonyl chlorideIn 2021 ,《One-pot synthesis of sulfonylhydrazones from sulfonyl chloride, hydrazine hydrate and vinyl azide in water》 was published in Journal of the Iranian Chemical Society. The article was written by Luo, Mengqiang; Wang, Hai; Ren, Xiaorong; Lu, Ruijuan; Qi, Chenze; Zhang, Yaohong; Shen, Runpu. The article contains the following contents:

A facile and eco-friendly protocol for the synthesis of sulfonylhydrazones I [R = Ph, 4-MeC6H4, 4-FC6H4, 4-ClC6H4, 4-BrC6H4; R1 = Me, Ph, 4-MeOC6H4, etc.] from sulfonyl chlorides, hydrazine hydrate and vinyl azides was developed. The unique advantage of this approach was that desired products could be obtained efficiently in water, which meets the requirements of green chem. and provided good perspectives for the sustainable production of new drug candidate. Also, this reaction proceeded in moderate to good yields with a wide tolerance of functional groups. In the part of experimental materials, we found many familiar compounds, such as Thiophene-2-sulfonyl chloride(cas: 16629-19-9Name: 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. Name: Thiophene-2-sulfonyl chloride

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

Selvakumari, S.; Venkataraju, C.; Muthu, S.; Irfan, Ahmad; Shanthi, D. published an article in Journal of the Indian Chemical Society. The title of the article was 《Donor acceptor groups effect, polar protic solvents influence on electronic properties and reactivity of 2-Chloropyridine-4-carboxylic acid》.Synthetic Route of C6H4ClNO2 The author mentioned the following in the article:

The computational reckoning of 2-Chloropyridine-4-carboxylic acid (2CP4CA) was accomplished employing DFT/B3LYP with the root set as 6-311++G(d, p). The impact of polar protic solvents which are eco-friendly solvents (water, methanol, ethanol, 1-propanol) on 2CP4CA were analyzed. To examine the solvent effect, vibrational investigations and NLO reports of 2CP4CA in dissimilar solvents were executed. Geometrical properties were also established in gas phase for 2CP4CA. Exercising VEDA program, the entire vibrational assignment was accomplished. Donor-acceptor exchanges were ascertained utilizing NBO scrutiny technique. Thermodn. properties of 2CP4CA were analyzed at different temperatures By applying TD – DFT approach, theoretic UV-Vis absorption spectrum was procured in different solvents. In order to evaluate the complete electron concentration and sensitive spots of 2CP4CA, MEP coupled with FMO analyzes were employed. HOMO along with LUMO orbitals and energy band gap were acquired for 2CP4CA employing dissimilar polar protic solvents. Addnl., ELF, LOL and charge transfer studies were also executed. RDG anal. has been exercised for revealing non-covalent interactions. In the experiment, the researchers used 2-Chloroisonicotinic acid(cas: 6313-54-8Synthetic Route of C6H4ClNO2)

2-Chloroisonicotinic acid(cas: 6313-54-8) belongs to pyridine. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. As ligands, solvents, and catalysts they facilitate reactions; thus descriptions of these new ligands and their applications abound each year.Synthetic Route of C6H4ClNO2

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

In 2022,ARKIVOC (Gainesville, FL, United States) included an article by De Luca, Laura; Mirabile, Salvatore; Ricci, Federico; Adornato, Ilenia; Cacciola, Anna; Germano, Maria Paola; Gitto, Rosaria. Reference of 3-Chlorobenzylchloride. The article was titled 《Synthesis and biochemical evaluation of 5-(pyridin-4-yl)-3-(alkylsulfanyl)-4H-1,2,4-triazol-4-amine-based inhibitors of tyrosinase from Agaricus bisporus》. The information in the text is summarized as follows:

A series of small mols. able to inhibit diphenolase activity of tyrosinase from Agaricus bisporus. The designed compounds I [n = 1,2; R = H, 4-Me, 2,4-F etc.] were readily synthesized by S-alkylation and the synthesized compounds I were tested through biochem. screening, thus provided structure-affinity relationships for this class of comp. I . In addition, docking simulations suggested the binding mode within the catalytic site of the targeted enzyme.3-Chlorobenzylchloride(cas: 620-20-2Reference of 3-Chlorobenzylchloride) was used in this study.

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.Reference of 3-Chlorobenzylchloride

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

Boehm, Philip; Martini, Tristano; Lee, Yong Ho; Cacherat, Bastien; Morandi, Bill published an article in Angewandte Chemie, International Edition. The title of the article was 《Palladium-Catalyzed Decarbonylative Iodination of Aryl Carboxylic Acids Enabled by Ligand-Assisted Halide Exchange》.HPLC of Formula: 6313-54-8 The author mentioned the following in the article:

An efficient and broadly applicable palladium-catalyzed iodination of inexpensive and abundant aryl and vinyl carboxylic acids via in situ activation to the acid chloride and formation of a phosphonium salt is reported. The use of 1-iodobutane as iodide source in combination with a base and a deoxychlorinating reagent gives access to a wide range of aryl and vinyl iodides under Pd/Xantphos catalysis, including complex drug-like scaffolds. Stoichiometric experiments and kinetic anal. suggest a unique mechanism involving C-P reductive elimination to form the Xantphos phosphonium chloride, which subsequently initiates an unusual halogen exchange by outer sphere nucleophilic substitution. In the experiment, the researchers used 2-Chloroisonicotinic acid(cas: 6313-54-8HPLC of Formula: 6313-54-8)

2-Chloroisonicotinic acid(cas: 6313-54-8) belongs to pyridine. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. As ligands, solvents, and catalysts they facilitate reactions; thus descriptions of these new ligands and their applications abound each year.HPLC of Formula: 6313-54-8

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

Computed Properties of C7H6Cl2On October 30, 2019 ,《First Discovery of Novel Pyrido[1,2-a]pyrimidinone Mesoionic Compounds as Antibacterial Agents》 was published in Journal of Agricultural and Food Chemistry. The article was written by Liu, Dengyue; Zhang, Jian; Zhao, Lei; He, Wengjing; Liu, Zhengjun; Gan, Xiuhai; Song, Baoan. The article contains the following contents:

Plant bacterial diseases cause tremendous decreases in crop yield and quality, and there is a lack of highly effective and low-risk antibacterial agents. A series of novel pyrido[1,2-a]pyrimidinone mesoionic compounds containing vanillin moieties were synthesized, and the application of these mesoionic compounds as plant antibacterial agents was reported here for the first time. The bioassay results revealed that the mesoionic compounds had good antibacterial activity. Of these compounds, compound (I) showed excellent in vitro activity against Xanthomonas oryzae pv. oryzae, with an EC50 value of 1.1μg/mL, which was substantially better than that of bismerthiazol (92.7μg/mL) and thiodiazole copper (105.4μg/mL). Moreover, greenhouse condition trials indicated that the protective and curative activities of compound I against rice bacterial leaf blight were 75.12% and 72.04%, resp., which were better than those of bismerthiazol (62.24% and 50.83%, resp.) and thiodiazole copper (53.35% and 65.04%, resp.). These results provide a basis for the application of mesoionic vanillin moieties as new antibacterial agents. In the experiment, the researchers used 3-Chlorobenzylchloride(cas: 620-20-2Computed Properties of C7H6Cl2)

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.Computed Properties of C7H6Cl2

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

Synthetic Route of C6H11ClO3On March 31, 2009, Dolakova, Petra; Dracinsky, Martin; Fanfrlik, Jindrich; Holy, Antonin published an article in European Journal of Organic Chemistry. The article was 《Synthesis of analogues of acyclic nucleoside diphosphates containing a (phosphonomethyl)phosphanyl moiety and studies of their phosphorylation》. The article mentions the following:

Acyclic nucleoside diphosphonate derivatives of purines and pyrimidines were prepared by Mitsunobu reaction of suitably protected heterocyclic bases with alcs. containing the (phosphonomethyl)phosphanyl moiety. Also, nonhydrolyzable acyclic analogs of dUDP were prepared as potential inhibitors of dUTPase. Their phosphorylation to analogs of dUTP, however, gave mixtures of linear and branched phosphates. The courses of the phosphorylation reactions were followed by 31P NMR spectroscopy, and both phosphonate and phosphinate moieties react with 1,1′-carbonyldiimidazole and tri-n-butylammonium phosphate. The pKa values of the (phosphonomethyl)phosphanyl system were also determined by 31P NMR spectroscopy. In the experimental materials used by the author, we found 2-(2-Chloroethoxy)ethyl acetate(cas: 14258-40-3Synthetic Route of C6H11ClO3)

2-(2-Chloroethoxy)ethyl acetate(cas: 14258-40-3) belongs to aliphatic hydrocarbons. Aliphatic hydrocarbons belong to the most abundant fraction in crude oil. Aliphatics molecules are linear or branched open-chain structures such as n-alkanes, isoalkanes, cycloalkanes (naphthenes), terpenes and steranes.Synthetic Route of C6H11ClO3

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

《Rational Optimization and Action Mechanism of Novel Imidazole (or Imidazolium)-Labeled 1,3,4-Oxadiazole Thioethers as Promising Antibacterial Agents against Plant Bacterial Diseases》 was written by Wang, Pei-Yi; Wang, Ming-Wei; Zeng, Dan; Xiang, Meng; Rao, Jia-Rui; Liu, Qing-Qing; Liu, Li-Wei; Wu, Zhi-Bing; Li, Zhong; Song, Bao-An; Yang, Song. Formula: C7H6Cl2 And the article was included in Journal of Agricultural and Food Chemistry on April 3 ,2019. The article conveys some information:

The emergence and widespread occurrence of plant bacterial diseases that cause global production constraints have become major challenges to agriculture worldwide. To promote the discovery and development of new bactericides, imidazole-labeled 1,3,4-oxadiazole thioethers were first fabricated by integrating the crucially bioactive scaffolds of the imidazole motif and 1,3,4-oxadiazole skeleton in a single mol. architecture. Subsequently, a superior antibacterial compound A6 was gradually discovered possessing excellent competence against plant pathogens Xanthomonas oryzae pv oryzae and Xanthomonas axonopodis pv citri with EC50 values of 0.734 and 1.79 μg/mL, resp. These values were better than those of com. agents bismerthiazol (92.6 μg/mL) and thiodiazole copper (77.0 μg/mL). Further modifying the imidazole moiety into the imidazolium scaffold led to the discovery of an array of potent antibacterial compounds providing the corresponding min. EC50 values of 0.295 and 0.607 μg/mL against the two strains. Moreover, a plausible action mechanism for attacking pathogens was proposed based on the concentration dependence of SEM, transmission electron microscopy, and fluorescence microscopy images. Given the simple mol. structures, easy synthetic procedure, and highly efficient bioactivity, imidazole (or imidazolium)-labeled 1,3,4-oxadiazole thioethers can be further explored and developed as promising indicators for the development of com. drugs.3-Chlorobenzylchloride(cas: 620-20-2Formula: C7H6Cl2) was used in this study.

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.Formula: C7H6Cl2

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