Tag: M.W=150-200

Wang, Yun published the artcileSynthesis of a phenylboronic acid-functionalized thermosensitive block copolymer and its application in separation and purification of vicinal-diol-containing compounds, Quality Control of 332154-58-2, the publication is RSC Advances (2016), 6(85), 82309-82320, database is CAplus.

A phenylboronic acid-functionalized amphiphilic thermosensitive block copolymer was prepared by taking PEO₂₀PPO₆₀PEO₂₀ as the template and a detailed study of its performance in downstream separation processes was presented. Alizarin red was used as the model compound to study the feasibility of using an affinity adsorption system and aqueous two-phase flotation system based on the phenylboronic acid-functionalized PEO₂₀PPO₆₀PEO₂₀ for the separation and purification of ortho-hydroxyl compounds The optimized conditions of the affinity adsorption experiment were: 2% phenylboronic acid-functionalized PEO₂₀PPO₆₀PEO₂₀, 0.3 mg alizarin red, 40% K₂HPO₄ and 4 h adsorption time. The affinity adsorption rate of alizarin red reached 98% under such conditions. In addition, a flotation recovery of alizarin red of 97% was obtained under the optimal conditions of aqueous two-phase flotation: 0.3 g of collector, 12 g K₂HPO₄, 0.6 mg alizarin red, 15 mL min^-1 nitrogen flow rate and 40 min flotation time. Both methods are capable of separating alizarin red, suggesting their broad application prospect in downstream separation engineering of vicinal-diol-containing compounds

RSC Advances published new progress about 332154-58-2. 332154-58-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,acyl chloride,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is (3-(Chlorocarbonyl)phenyl)boronic acid, and the molecular formula is C8H11NO, Quality Control of 332154-58-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Li, Yangyang published the artcileModular access to substituted cyclohexanes with kinetic stereocontrol, HPLC of Formula: 939-99-1, the publication is Science (Washington, DC, United States) (2022), 376(6594), 749-753, database is CAplus and MEDLINE.

Substituted six-membered cyclic hydrocarbons are common constituents of biol. active compounds Although methods for the synthesis of thermodynamically favored, disubstituted cyclohexanes are well established, a reliable and modular protocol for the synthesis of their stereoisomers is still elusive. Herein, the authors report a general strategy for the modular synthesis of disubstituted cyclohexanes with excellent kinetic stereocontrol from readily accessible substituted methylenecyclohexanes by the implementation of chain-walking catalysis. Mechanistically, the initial introduction of a sterically demanding B ester group adjacent to the cyclohexane is key to guiding the stereochem. outcome. The synthetic potential of this methodol. was highlighted in late-stage modification of complex bioactive mols. and in comparison with current cross-coupling techniques.

Science (Washington, DC, United States) published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, HPLC of Formula: 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Zhang, Xiulan published the artcileSynthesis and insecticidal evaluation of novel anthranilic diamides containing N-substituted nitrophenylpyrazole, HPLC of Formula: 350-30-1, the publication is Bioorganic & Medicinal Chemistry (2014), 22(1), 186-193, database is CAplus and MEDLINE.

To cope with developing pest resistance and ecol. problems associated with conventional insecticides and to search for potent insecticides targeting at ryanodine receptor (RyR), a series of novel anthranilic diamides containing N-substituted nitrophenylpyrazole I [R¹ = Me, Et, cyclohexyl, etc.; R² = 2,4-(O₂N)₂C₆H₃, 2-Cl-6-O₂NC₆H₃, 2-Cl-4-O₂NC₆H₃] were designed and synthesized. The insecticidal activities of target compounds against oriental armyworm (Mythimna separata) and diamondback moth (Plutella xylostella) were evaluated in the greenhouse by bio-assay tests and the relative structure-activity relationships were briefly discussed. Most compounds exhibited moderate to high activities, in which I [R¹ = t-Bu; R² = 2-Cl-6-O₂NC₆H₃] and I [R¹ = cyclopropyl; R² = 2-Cl-4-O₂NC₆H₃] showed high activity against oriental armyworm and K₂ and K₄ against diamondback moth even better than the control-chlorantraniliprole. The calcium imaging technique was used to investigate the effects of several typical title compounds on the [Ca²⁺]_i, especially the effects of I [R¹ = t-Bu; R² = 2-Cl-6-O₂NC₆H₃] on the intracellular calcium ion concentration ([Ca²⁺]_i) in neurons, which indicated that some title compounds were potent activators of the RyR.

Bioorganic & Medicinal Chemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C10H10CoF6P, HPLC of Formula: 350-30-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wang, Shuai published the artcileSynthesis, structure-activity relationship studies and biological characterization of new [1,2,4]triazolo[1,5-a]pyrimidine-based LSD1/KDM1A inhibitors, Formula: C8H6ClF3, the publication is European Journal of Medicinal Chemistry (2019), 388-401, database is CAplus and MEDLINE.

The design, synthesis and biochem. characterization of [1,2,4]triazolo[1,5-a]pyrimidine derivatives I [R¹ = H, [(2-bromophenyl)methyl]sulfanyl, prop-2-en-1-ylsulfanyl, [(1H-1,3-benzodiazol-2-ylmethyl)sulfanyl], etc.; R² = H, Me, (CH₂)₄CH₃; R³ = Me, Et, C₆H₅; R², R³ = -(CH₂)₃-; R⁴ = H, C₆H₅, [4-(4-methylpiperazin-1-yl)phenyl], etc.] as new LSD1 inhibitors have been reported. Of these compounds, compound I [R¹ = (1H-1,3-benzodiazol-2-ylsulfanyl)methyl; R² = H; R³ = Me; R⁴ = [4-(4-methylpiperazin-1-yl)phenyl]] (II) inhibited LSD1 in a reversible manner (IC₅₀ = 1.72 μM) and showed selectivity to LSD1 over MAO-A/B. Besides, compound II displayed FAD-competitive binding to LSD1. Interestingly, compound II did not inhibit horseradish peroxidase (HRP) and quench H₂O₂, thus excluding the possibility that LSD1 inhibition by compound II was due to the HRP inhibition and consumption of H₂O₂. In LSD1 overexpressed A549 cells, compound II concentration-dependently induced accumulation of H3K4me1/me2 and H3K9me2 and showed cellular target engagement to LSD1. Addnl., compound II significantly inhibited migration of A549 cells in a concentration-dependent manner, further western blot anal. showed that compound II increased expression levels of epithelial cell markers E-Cadherin and Claudin-1, down-regulated mesenchymal cell marker N-Cadherin and the upstream transcription factors Snail and Slug. Docking studies were also performed to rationalize the potency of compound II toward LSD1. To conclude, the [1,2,4]triazolo[1,5-a]pyrimidine I could serve as a promising scaffold for the development of new LSD1 inhibitors.

European Journal of Medicinal Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C17H18N3NaO3S, Formula: C8H6ClF3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Shi, Lei published the artcileSynthesis and anticancer activity of novel coumarin derivatives, Computed Properties of 620-20-2, the publication is Youji Huaxue (2020), 40(6), 1598-1607, database is CAplus.

Nineteen novel 3,4,5-trimethoxyphenyl coumarin derivatives have been synthesized and evaluated for antitumor activity against three human cancer cell lines (EC-109, PC-3 and MGC-803). These chem. structures were well characterized by NMR and HRMS spectroscopic methods. N-Benzyl-2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-N-(3,4,5-trimethoxyphenyl) acetamide (4a) and N-((5-chlorobenzo[b]thiophen-3-yl)methyl)-2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-N-(3,4,5-trimethoxyphenyl)acetamide (4n) had better inhibitory activity against three kinds of tumor cells than 5-fluorouracil. Compound 4n showed the most potent antitumor activity against PC-3 cells with an IC₅₀ value of 4.18μmol/L.

Youji Huaxue published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C8H8BFO2, Computed Properties of 620-20-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Chen, Fa-Jie published the artcileCu(II)-Mediated C-S/N-S Bond Formation via C-H Activation: Access to Benzoisothiazolones Using Elemental Sulfur, Synthetic Route of 6313-54-8, the publication is Organic Letters (2014), 16(21), 5644-5647, database is CAplus and MEDLINE.

A copper-mediated C-S/N-S bond-forming reaction via C-H activation that uses elemental sulfur has been developed. The addition of TBAI was found to be crucial for the success of this transformation. The method is scalable, shows excellent functional group tolerance, and is compatible with heterocycle substrates, providing efficient and practical access to benzoisothiazolones. E.g., in presence of TBAI, Cu(OAc)₂, Ag₂O, and S₈, reaction of benzamide substrate (I) gave 89% benzoisothiazolone derivative (II). The direct diversification of the benzoisothiazolone products into a variety of sulfur-containing compounds is also demonstrated.

Organic Letters published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Synthetic Route of 6313-54-8.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Chen, Chan-Cheng published the artcilePrediction of Flash Point of Organosilicon Compounds Using Quantitative Structure Property Relationship Approach, HPLC of Formula: 14799-94-1, the publication is Industrial & Engineering Chemistry Research (2010), 49(24), 12702-12708, database is CAplus.

Flash point (FP) is the primary property to classify flammable liquids to assess their fire and explosion hazards. Due to technol. advancement in discovering or synthesizing new compounds, there is often a significant gap between the demand for such data and their availability. Reliable methods to estimate the FP of a compound are indispensable. This work used a quant. structure property relationship study to predict the FP of organosilicon compounds To establish and validate proposed models, a dataset of 230 organosilicon compounds was collected and divided into a training set of 184 compounds and a testing set of 46 compounds A step-wise regression method selected the required mol. descriptors to predict organosilicon compound FP from 1538 mol. descriptors. Depending on the p-value to accept a descriptor to enter the model, models with different number of descriptors were obtained. Thus, 13- and 6-descriptor models were obtained with resp. p-values of 5 × 10^-4 and 1 × 10^-5. The 6-descriptor model fit the training data with R² = 0.8981; it predicted test data with Q² = 0.8533. The 13-descriptor model fit the training data with R² = 0.9293; it predicted test data with Q² = 0.9245. Average predictive errors were <5% for both proposed models and they are useful for many practical applications since they used only mol. structure-based calculated descriptors.

Industrial & Engineering Chemistry Research published new progress about 14799-94-1. 14799-94-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(hexyl)(methyl)silane, and the molecular formula is C7H16Cl2Si, HPLC of Formula: 14799-94-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Qin, Zhaohai published the artcileStudies on pyridine derivatives (IV): Synthesis and R. solani inhibiting activities of 4-aryl(alkyl)-3-[(2-chloropyrid)-4-yl]-1,2,4-triazoline-5-thiones, Related Products of chlorides-buliding-blocks, the publication is Nongyaoxue Xuebao (1999), 1(3), 85-87, database is CAplus.

Twelve 4-aryl(alkyl)-3-[(2-chloropyrid)-4-yl]-1,2,4-triazoline-5-thiones I (R = alkyl or aryl) were synthesized. Nine of them were good inhibitors for R. Solani (EC₅₀ were within 10.5âˆ?8.8 μg·mL^-1). Their ¹HNMR was also assigned.

Nongyaoxue Xuebao published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wang, Chen-Gang published the artcileCarbon Dioxide Mediated Cellulose Dissolution and Derivatization to Cellulose Carbonates in a Low-pressure System, Synthetic Route of 939-99-1, the publication is Carbohydrate Polymer Technologies and Applications (2022), 100186, database is CAplus.

An effective switchable solvent system using carbon dioxide (CO₂) and 2-tert-butyl-1,1,3,3-tetramethylguanidine (BTMG) for cellulose dissolution and derivatization was developed. High concentration cellulose solution (up to 10 wt%) could be achieved by dissolving microcrystalline cellulose rapidly, within 5 min, into DMSO in presence of BTMG and 1 atm CO₂ at room temperature The cellulose-carbonate anion intermediate was characterized by ¹H and ¹³C NMR spectroscopies, emphasizing the generation of cellulose carbonate anions and protonated BTMG. Addition of organochlorides into the cellulose solution triggers a nucleophilic substitution with cellulose-carbonate anions, producing various cellulose benzyl carbonates and a cellulose-carbonate-ester with degree of substitution (DS) up to 1.83 at 1 atm CO₂ pressure and room temperature The activation energy (Ea) and Gibbs free energy change (ΔG) of CO₂-mediated dissolution and nucleophilic substitution were calculated by d. functional theory. The results showed that the nucleophilic substitution is the rate-limiting step.

Carbohydrate Polymer Technologies and Applications published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C9H8BNO2, Synthetic Route of 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Yang, Zaibo published the artcileNovel pyrethrin derivatives containing an 1,3,4-oxadiazole thioether moiety: Design, synthesis, and insecticidal activity, Recommanded Product: 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Journal of Heterocyclic Chemistry (2020), 57(1), 81-88, database is CAplus.

In this study, a series of novel pyrethrin derivatives containing an 1,3,4-oxadiazole thioether moiety, I (R = Ph, 2-ClC₆H₄, 6-chloropyridinyl, etc.), were designed and synthesized. Bioassay results revealed that some of the target compounds possessed excellent insecticidal activities against Plutella xylostella (P. xylostella), Vegetable aphids (V. aphids), and Empoasca vitis (E. vitis), resp. In particular, compound I (R = 4-F₃CC₆H₄) revealed the best insecticidal activities against P. xylostella and V. aphids, with the 50% lethal concentration (LC₅₀) values of 1.78 and 1.61 mg/L, resp.; meanwhile, compound I (R = 5-chlorothiadiazol-2-yl) revealed the best insecticidal activity against E. vitis, with the LC₅₀ value of 1.06 mg/L, which were superior to those of the com. insecticidal agents of chlorpyrifos, beta cypermethrin, spinosad, and azadirachtin. These results indicated that novel pyrethrin derivatives containing an 1,3,4-oxadiazole thioether moiety could effectively inhibit P. xylostella, V. aphids, and E. vitis.

Journal of Heterocyclic Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C4H6N2, Recommanded Product: 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics