Month: October 2022

Zweig, Arnold; Epstein, Martin published the artcile< 3-Chlorophthalic anhydride through chlorination of phthalic anhydride>, Recommanded Product: 5-Chloroisobenzofuran-1,3-dione, the main research area is chlorophthalic anhydride; phthalic anhydride chlorination.

Monochlorination of molten phthalic anhydride in the presence of FeCl3 proceeds with only a small preference (55:45) for 4-chlorophthalic anhydride over 3-chlorophthalic anhydride. Under the same conditions both monochlorophthalic anhydrides are chlorinated at rates comparable to that of phthalic anhydride itself. When 1 mol of Cl is taken up by 1 mol of phthalic anhydride, a mixture of starting material and mono- and dichlorophthalic anhydrides is obtained together with traces of the more highly chlorinated phthalic anhydrides. Distillative separation of 3-chlorophthalic anhydride from the lower boiling 4-chlorophthalic anhydride can be readily achieved on a moderately efficient column. Convenient preparation of pure 3-chlorophthalic anhydride through distillation of chlorinated phthalic anhydride mixtures is impeded by the nearly identical b.ps. of 3-chlorophthalic anhydride and 4,5-dichlorophthalic anhydride. The latter is formed to the extent of 1/6 of the dichlorophthalic anhydride fraction of the chlorinated mixtures

Journal of Organic Chemistry published new progress about Chlorination. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Recommanded Product: 5-Chloroisobenzofuran-1,3-dione.

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

Gonzalez-Marino, Iria; Quintana, Jose Benito; Rodriguez, Isaac; Cela, Rafael published the artcile< Evaluation of the occurrence and biodegradation of parabens and halogenated by-products in wastewater by accurate-mass liquid chromatography-quadrupole-time-of-flight-mass spectrometry (LC-QTOF-MS)>, Application In Synthesis of 3964-57-6, the main research area is LCMS evaluation paraben wastewater halogenated compound biodegradation.

An assessment of the sewage occurrence and biodegradability of 7 parabens and 3 halogenated derivatives of Me paraben (MeP) is presented. Several wastewater samples were collected at 3 different wastewater treatment plants (WWTPs) during Apr. and May 2010, concentrated by solid-phase extraction (SPE) and analyzed by liquid chromatog.-electrospray-quadrupole-time-of-flight mass spectrometry (LC-QTOF-MS). The performance of the QTOF system proved to be comparable to triple-quadrupole instruments in terms of quant. capabilities, with good linearity (R2 > 0.99 in the 5-500 ng mL-1 range), repeatability (relative standard deviation < 5.6%) and LODs (0.3-4.0 ng L-1 after SPE). MeP and Pr paraben (PrP) were the most frequently detected and the most abundant analytes in raw wastewater (0.3-10 μg L-1), in accordance with the data displayed in the bibliog. and reflecting their wider use in cosmetic formulations. Samples were also evaluated in search for potential halogenated byproducts of parabens, formed as a result of their reaction with residual Cl contained in tap H2O. Monochloro- and dichloro-Me paraben (ClMeP and Cl2MeP) were found and quantified in raw wastewater at levels between 0.01 and 0.1 μg L-1. Halogenated derivatives of PrP could not be quantified due to the lack of standards; nevertheless, the monochlorinated species (ClPrP) was identified in several samples from its accurate precursor and product ions mass/charge ratios (m/z). Removal efficiencies of parabens and MeP chlorinated byproducts in WWTPs exceeded 90%, with the lowest percentages corresponding to the latter species. This trend was confirmed by an activated sludge biodegradation batch test, where nonhalogenated parabens had half-lives < 4 days, whereas halogenated derivatives of MeP turned out to be more persistent, with up to 10 days of half-life in the case of dihalogenated derivatives A further stability test performed with raw wastewater also showed that parabens degrade rapidly in real sewage, with half-lives < 10 h for n-butyl-paraben, while dihalogenated species again turned out to be more stable, with half-lives longer than a week. Water Research published new progress about Biodegradation kinetics. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Application In Synthesis of 3964-57-6.

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

Wang, Cui-Tian; Li, Ming; Ding, Ya-Nan; Wei, Wan-Xu; Zhang, Zhe; Gou, Xue-Ya; Jiao, Rui-Qiang; Wen, Ya-Ting; Liang, Yong-Min published the artcile< Alkylation-Terminated Catellani Reactions by Cyclobutanol C-C Cleavage>, Quality Control of 611-19-8, the main research area is aromatic hydrocarbon preparation; cyclobutanol aryl iodide benzoyloxyamine Catellani reaction; alkyl iodide aryl cyclobutanol Catellani reaction; iodide aryl bromide cyclobutanol Catellani reaction; benzyl chloride aryl iodide cyclobutanol Catellani reaction.

This report describes the first application of a cyclobutanol ring-opening procedure in the Catellani termination reaction, which includes two β-carbon elimination processes. This tandem reaction features mild conditions, high yields, good functional group tolerance, and a broad substrate scope. Meanwhile, four types of electrophiles (N-benzoyloxyamines, e.g., 4-benzoyloxymorpholine, alkyl iodides RR1CHI [R = CH3, (CH2)3CH3, (CH2)4CH3, (CH2)4C(O)2CH3, (CH2)7CH3; R1 = H, CH3], aryl bromides R2C6H4Br [R2 = 2-C(O)2Me, 4-CF3, 4-C(O)2Me], and benzyl chlorides R3C6H4CH2Cl = H, 2-Me, 2-Cl, 3-Me, 4-F, 4-OMe) are quite compatible with this termination reaction for the construction of various types of polysubstituted aromatic hydrocarbons, e.g., I.

Organic Letters published new progress about Aralkyl chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, Quality Control of 611-19-8.

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

Laeckmann, Didier; Rogister, Francoise; Dejardin, Jean-Victor; Prosperi-Meys, Christelle; Geczy, Joseph; Delarge, Jacques; Masereel, Bernard published the artcile< Synthesis and biological evaluation of aroylguanidines related to amiloride as inhibitors of the human platelet Na+/H+ exchanger>, Product Details of C6H2Cl3NO2, the main research area is pyridine benzene isostere amiloride preparation sodium hydrogen exchanger inhibitor; structure amiloride isostere activity inhibitor sodium hydrogen exchanger.

Pyridine and benzene bioisosteres of amiloride such as I and II were synthesized and evaluated for their inhibitory potency against the sodium-hydrogen exchanger involved in intracellular pH regulation. Substituted diaminochloro-2-pyridinecarbonyl and diaminochloro-3-pyridinecarbonyl guanidines are prepared from 2-chloro-6-methyl-3,5-dinitropyridine and 2-methyl-1,5-pentanedinitrile, resp. Dichloro- and trichloropyridine-3-carbonyl guanidines, and simple pyridinecarbonyl and benzoyl guanidines are also prepared Several benzene derivatives and compounds bearing an carbonylguanidine moiety in the meta position of the pyridine nitrogen were much more potent than amiloride, but less so than the pyrazine inhibitor III (R = Et; R1 = Me2CH). II is the most active mol. in assays measuring the reduction in human platelet swelling due to sodium ion uptake and in assays of the inhibition of sodium ion uptake, with IC50 values of 0.8 μM in both assays. Replacement of the pyrazine ring of amiloride III (R = R1 = H) by a pyridine or a Ph ring improved the inhibitory potency for the sodium-hydrogen exchanger involved in intracellular pH regulation in the order Ph > pyridine > pyrazine.

Bioorganic & Medicinal Chemistry published new progress about Homo sapiens. 54718-39-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H2Cl3NO2, Product Details of C6H2Cl3NO2.

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

Ali, Shaukat; Champagne, Danielle L.; Richardson, Michael K. published the artcile< Behavioral profiling of zebrafish embryos exposed to a panel of 60 water-soluble compounds>, Electric Literature of 6055-19-2, the main research area is locomotor behavior Danio embryo water soluble compound.

The zebrafish is a powerful whole animal model which is complementary to in vitro and mammalian models. It has been shown to be applicable to the high-throughput behavioral screening of compound libraries. We have analyzed 60 water-soluble toxic compounds covering a range of common drugs, toxins and chems., and representing various pharmacol. mechanisms. Wild-type zebrafish larvae were cultured individually in defined buffer in 96 well plates. They were exposed for a 96 h period starting at 24 h post fertilization (hpf). A logarithmic concentration series was used for range-finding, followed by a narrower geometric series for LC50 determination LC50 values were determined at 24 h intervals and behavioral testing was carried out on day 5. We used the visual motor response test, in which movement of individual larvae was analyzed using automated video-tracking. For all compounds, LC50 values were found to decrease as the embryo developed. The majority of compounds (57/60) produced an effect in both the basal (lights on) and challenge phases (lights off) of the behavioral assay. These effects were either (i) suppression of locomotor activity (monotonic concentration-response); (ii) stimulation then suppression (biphasic response); (iii) stimulation (monotonic response). We conclude that behavioral assays with zebrafish embryos could be useful for pharmaceutical efficacy and toxicity screening. The precise phenotypic outcome obtained with behavioral assay varies with compound class.

Behavioural Brain Research published new progress about Aquatic toxicity. 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, Electric Literature of 6055-19-2.

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

Peng, Han-Ying; Dong, Zhi-Bing published the artcile< Transition-Metal-Free C(sp3)-S Coupling in Water: Synthesis of Benzyl Dithiocarbamates Using Thiuram Disulfides as an Organosulfur Source>, COA of Formula: C7H6Cl2, the main research area is dithiocarbamate benzyl green synthesis; benzyl halide nucleophilic substitution tetraalkylthiuram disulfide water.

A simple, highly efficient and environmentally benign method for the synthesis of benzyl dithiocarbamates was reported. Without addition of metal catalyst, a series of 34 benzyl dithiocarbamates were obtained in good to excellent yields by treating benzyl halides with tetraalkylthiuram disulfides in water. The protocol allows easy access to C(sp3)-S bond formation, features the advantages of easy performance, environmental friendliness, good to excellent yields, and good functional tolerance, showing potential value for the preparation of some biol. active compounds

European Journal of Organic Chemistry published new progress about Benzyl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, COA of Formula: C7H6Cl2.

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

Rajabi, Mahboobeh; Albadi, Jalal; Momeni, Ahmadreza published the artcile< Click synthesis of 1,4-disubstituted-1,2,3-triazoles catalyzed by melamine-supported CuO nanoparticles as an efficient recyclable catalyst in water>, Electric Literature of 611-19-8, the main research area is triazole preparation regioselective; benzyl chloride alkylchloride ethynylbenzene click reaction copper nanocatalyst.

Melamine-supported CuO nanoparticles (M-CuO nanocatalyst) are prepared as a new and efficient recyclable nanocatalyst for the regioselective synthesis of 1,2,3-triazoles I (R = Me, Ph, 4-methylphenyl, etc.; R1 = H, OMe) in water. This new nanocatalyst was prepared by co-precipitation method and characterized by FT-IR spectral study, TGA, DSC, XRF, ICP-OES, XRD, SEM, EDS and BET anal. A wide range of 1,4-disubstituted-1,2,3-triazoles I was synthesized from reaction of benzyl halides or alkyl halides RCH2Cl with Ph acetylene and sodium azide in high yields. M-CuO nanocatalyst could be reused more than 6 times without considerable loss of its initial activity.

Research on Chemical Intermediates published new progress about Aralkyl chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, Electric Literature of 611-19-8.

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

Raja, G.; Venkatesh, G.; Al-Otaibi, Jamelah S.; Vennila, P.; Mary, Y. Sheena; Sixto-Lopez, Y. published the artcile< Synthesis, characterization, molecular docking and molecular dynamics simulations of benzamide derivatives as potential anti-ovarian cancer agents>, HPLC of Formula: 17082-09-6, the main research area is cinnamoyl benzamide preparation antiovarian cancer mol docking dynamic simulation.

A novel (E)-N-cinnamoyl-4-methoxybenzamide (CMB) and (E)-3-chloro-N-cinnamoyl-4-methoxybenzamide (CCMB) were synthesized and characterized by using Fourier-transform IR spectroscopy (FT-IR), NMR (NMR) and UV-visible spectroscopy. Theor. vibrational spectra, NMR and some electronic properties of CMB and CCMB have been calculated using D. Functional Theory (DFT), B3LYP functional with a 6-311G++ basis set. UV-Vis spectra obtained by Time-dependent-DFT/ polarizable continuum model (PCM) methods were also compared to exptl. reported spectra. In addition, the mol. electrostatic potential (MEP) and frontier MOs (FMOs) were calculated and discussed for the title compounds The present study examined the use of two mols. as matrix metalloproteinases (MMPs) inhibitors for the treatment of ovarian cancer. Mol. docking results show that both CCMB and CMB bind to MMP-2 with higher affinity (-8.50 and -8.35 kcal/mol) than MMP-1 (-8.24 and -8.07 kcal/mol). According to MD simulations, values of the solvent accessible surface area changed very little from the title mols. During the MD simulation, the number of H-bonds formed between CMB and CCMB towards targets was also determined

Journal of Molecular Structure published new progress about Antitumor agents. 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, HPLC of Formula: 17082-09-6.

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

Willems, Maxime; Stevens, An-Sofie; Adriaens, Els; Plusquin, Michelle; Smeets, Karen; Van Goethem, Freddy; Vanparys, Philippe; Janssen, Colin; Remon, Jean-Paul published the artcile< An Adult Stem Cell Proliferation Assay in the Flatworm Model Macrostomum lignano to Predict the Carcinogenicity of Compounds>, Formula: C7H17Cl2N2O3P, the main research area is Macrostomum stem cell proliferation chem carcinogenicity prediction model.

Flatworms possess adult pluripotent stem cells whose dynamics can easily be exptl. assessed in vivo. This feature provides the unique opportunity to be used in a pharmacol. context to test the safety of chems. The objective of this study was to develop and assess the applicability of an alternative in vivo test with a low-level organism where stem cell proliferation is used as an endpoint to predict the carcinogenicity of chems. As a start, to obtain proof of concept with this new test model, we tested 4 known carcinogens (2 DNA-reactive and 2 non-DNA-reactive) and 2 noncarcinogens as neg. controls. We evaluated our carcinogenicity prediction model and advocate for its future use in pharmacol. safety screenings.

Applied In Vitro Toxicology published new progress about Adult, nonmammalian. 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, Formula: C7H17Cl2N2O3P.

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