Month: February 2023

Determination of trace organic contaminants by a novel mixed-mode online solid-phase extraction coupled to liquid chromatography-tandem mass spectrometry was written by Zou, Jianmin;Yao, Bo;Yan, Shuwen;Song, Weihua. And the article was included in Environmental Pollution (Oxford, United Kingdom) in 2022.Category: chlorides-buliding-blocks This article mentions the following:

In this study, a novel mixed-mode online solid-phase extraction (SPE) method was developed to recover miscellaneous trace organic contaminants (TrOCs) from environmental water samples. Six kinds of sorbents, including C18 substances, hypercrosslinked polymers (2), cation-exchange resins, anion-exchange resins, and graphitized nonporous carbons, were packed into a single online SPE cartridge. Furthermore, a fully automated analytic method was established by coupling this mixed-mode online SPE with liquid chromatog. tandem mass spectrometry (online SPE-LC-MS/MS). Sixty-nine TrOCs with diverse properties were selected to examine the performance of this mixed-mode SPE cartridge in comparison with solo-mode online SPE cartridges. The method quantification limit (MQL) and the relative recovery coefficient of TrOCs in diverse water matrixes, including groundwater, surface water and sewage effluent were evaluated. The MQL of most TrOCs was lower than 10 ng L^-1. The relative recovery coefficients for most TrOCs in the groundwater (50/69) and surface water (38/69) matrix fit in the satisfactory range. Moreover, mixed-mode online SPE coupled with LC-high-resolution MS was applied for a suspect screening of TrOCs in sewage effluents. A series of highly polar TrOCs that had scarcely been reported by previous studies were identified by this practical and easily accessible method. Finally, this novel mixed-mode online SPE with LC-MS/MS method was applied to quantify the TrOCs in the environmental water samples. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2Category: chlorides-buliding-blocks).

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Category: chlorides-buliding-blocks

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

Structure activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 2 was written by Takeuchi, Kumiko;Holloway, William G.;Mitch, Charles H.;Quimby, Steven J.;McKinzie, Jamie H.;Suter, Todd M.;Statnick, Michael A.;Surface, Peggy L.;Emmerson, Paul J.;Thomas, Elizabeth M.;Siegel, Miles G.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2007.Recommanded Product: 2-(3-Methoxyphenyl)acetyl chloride This article mentions the following:

A series of 6-bicycloaryloxynicotinamides were identified as opioid receptor antagonists at mu, kappa, and delta receptors. Compounds in the 6-(2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide scaffold exhibited potent in vitro functional antagonism at all three receptors. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Recommanded Product: 2-(3-Methoxyphenyl)acetyl chloride).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Recommanded Product: 2-(3-Methoxyphenyl)acetyl chloride

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

Synthesis and Crystal Structure of Benzoyloxymethyl (4α,8β,13β)-13-methyl-16-oxo-17-norkauran-18-carbonate Ester was written by Cai, Jin;Zhou, Wen;Chen, Junqing;Sun, Min;Ji, Min. And the article was included in Journal of Chemical Crystallography in 2009.Application In Synthesis of Chloromethyl benzoate This article mentions the following:

Isosteviol derivative: benzoyloxymethyl (4α,8β,13β)-13-methyl-16-oxo-17-norkauran-18-carbonate ester was synthesized by esterification of isosteviol with chloromethyl benzoate and its crystal structure was determined by x-ray diffraction method. The compound crystallizes in the triclinic space group P1 with a = 8.784(3) Å, b = 9.079(3) Å, c = 15.950(6) Å, α = 79.343(6)°, β = 79.061(5)°, γ = 89.849(5)°, Z = 2. The conformation of rings A and B is chair, whereas the conformation of ring C is unsym. twist chair. The carbonyl group at the C20 is coplanar with the benzene ring. The fragment of the ester group occupying the pseudoaxial site of C1 position adopts a zigzag conformation. In the experiment, the researchers used many compounds, for example, Chloromethyl benzoate (cas: 5335-05-7Application In Synthesis of Chloromethyl benzoate).

Chloromethyl benzoate (cas: 5335-05-7) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. 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.Application In Synthesis of Chloromethyl benzoate

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

Zika Virus Inhibitors Based on a 1,3-Disubstituted 1H-Pyrazolo[3,4-d]pyrimidine-amine Scaffold was written by Jung, Eunkyung;Soto-Acosta, Ruben;Geraghty, Robert J.;Chen, Liqiang. And the article was included in Molecules in 2022.Application In Synthesis of (Chloromethanetriyl)tribenzene This article mentions the following:

To search for Zika virus (ZIKV) antivirals, the previously reported 7H-pyrrolo[2,3-d]pyrimidines I (X = NH, O) have been explored by examining an alternative substitution pattern of their central scaffold, leading to compound I (X = O) with low micromolar antiviral activity. To circumvent the synthetic difficulties associated with compound I (X = O), a 1H-pyrazolo[3,4-d]pyrimidine II (R = H, 2-Me, 3-Cl, 4-Cl, etc.; R¹ = Ph, 4-nitrophenyl, 6-chloropyridin-3-yl, etc.) scaffold and structure-activity relationship studies pefromed on its peripheral rings A and B have been exploited . While ring B is less sensitive to structural modifications, an electron-withdrawing group at the para position of ring A is preferred for enhanced antiviral activity. Overall, we have not only discovered an alternative substitution pattern centered on a 1H-pyrazolo[3,4-d]pyrimidines IIscaffold but also generated anti-ZIKV compounds including 6 and 13, II (R = H, R¹ = 4-nitrophenyl; R = H, R¹ = 4-(trifluoromethyl)phenyl) which possess low micromolar antiviral activity and relatively low cytotoxicity. These compounds represent new chemotypes that will be further optimized in the continued efforts to discover anti-ZIKV agents. In the experiment, the researchers used many compounds, for example, (Chloromethanetriyl)tribenzene (cas: 76-83-5Application In Synthesis of (Chloromethanetriyl)tribenzene).

(Chloromethanetriyl)tribenzene (cas: 76-83-5) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Application In Synthesis of (Chloromethanetriyl)tribenzene

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

Genetic bioaugmentation with triclocarban-catabolic plasmid effectively removes triclocarban from wastewater was written by Ke, Zhuang;Wang, Shen;Zhu, Wenqi;Zhang, Fu;Qiao, Wenjing;Jiang, Jiandong;Chen, Kai. And the article was included in Environmental Research in 2022.SDS of cas: 101-20-2 This article mentions the following:

Triclocarban, one of the emerging pollutants, has been accumulating, and it is frequently detected in wastewater. Due to its toxicity and persistence, the efficient removal of triclocarban from wastewater systems is challenging. Genetic bioaugmentation with transferable catabolic plasmids has been considered to be a long-lasting method to clean up pollutants in continuous flow wastewater treatment systems. In this study, bioaugmentation with Pseudomonas putida KT2440, harboring the transferrable triclocarban-catabolic plasmid pDCA-1-gfp-tccA2, rapidly converted 50μM triclocarban in wastewater into 3,4-dichloroaniline and 4-chloroaniline, which are further mineralized more easily. RT-qPCR results showed that the ratio of the copy number of pDCA-1-gfp-tccA2 to the cell number of strain KT2440 gradually increased during genetic bioaugmentation, suggesting horizontal transfer and proliferation of the plasmid. By using DNA stable isotope probing (SIP) and amplicon sequencing, OTU86 (Escherichia-Shigella), OTU155 (Citrobacter), OTU5 (Brucella), and OTU15 (Enterobacteriaceae) were found to be the potential recipients of the plasmid pDCA-1-gfp-tccA2 in the wastewater bacterial community. Furthermore, three transconjugants in the genera of Escherichia, Citrobacter, and Brucella showing triclocarban-degrading abilities were isolated from the wastewater. This study develops a new method for removing triclocarban from wastewater and provides insights into the environmental behavior of transferrable catabolic plasmids in bacterial community in wastewater systems. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2SDS of cas: 101-20-2).

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.SDS of cas: 101-20-2

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

Analysis of hazardous wastes by fused silica capillary gas chromatography/Fourier transform infrared spectrometry and gas chromatography/mass spectrometry was written by Shafer, K. H.;Hayes, T. L.;Brasch, J. W.;Jakobsen, R. J.. And the article was included in Analytical Chemistry in 1984.Computed Properties of C8H7ClO2 This article mentions the following:

The results of capillary gas chromatog. (GC)/Fourier transform IR (FTIR) and GC/mass spectrometry (MS) analyses of a hazardous waste sample are presented to demonstrate the high chromatog. resolution, sensitivity, and identifications possible by capillary GC/FTIR. Emphasis is placed on the use of wall-coated open tubular columns for GC/FTIR instead of support-coated open tubular or packed columns which have been more commonly used in the past. Of the 44 compounds detected by either technique, 64% were completely identified and 34% partially identified (exact structure not determined) by GC/FTIR, compared with 30% being completely identified and 52% partially identified by GC/MS. For this sample, capillary GC/FTIR anal. resulted in the characterization of 43 compounds, in contrast to only 17 compounds by packed column GC/FTIR. An automated spectral subtraction of water vapor from each sample spectrum improved spectral search results with correct identifications in some cases being made only after the subtraction procedure. In the experiment, the researchers used many compounds, for example, Chloromethyl benzoate (cas: 5335-05-7Computed Properties of C8H7ClO2).

Chloromethyl benzoate (cas: 5335-05-7) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Computed Properties of C8H7ClO2

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

Molecular Insight into the Discrepancy of Antitubercular Activity between 8-Nitro and 8-Cyano Benzothiazinones was written by Zhang, Gang;Chen, Daoxing;Wang, Sufang;Chen, Hualong;Wei, Ning;Chen, Guirong. And the article was included in ChemistrySelect in 2020.Recommanded Product: 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid This article mentions the following:

Benzothiazinones with 8-NO₂ group was a novel class of compounds with potent antitubercular activity, especially BTZ043 I and PBTZ169 II, which covalently inhibit DprE1. 8-CN benzothiazinones III [R = H, Me; R¹ = H, Me; R² = cyclopropyl, cyclopentyl, oxetan-3-yl, etc.] was reported as another type of benzothiazinones with potent antitubercular activity. Taking this as the starting point, a series of 8-CN benzothiazinones III were synthesized and evaluated for their antitubercular activity. To better understand the antitubercular activity of this series of benzothiazinones III, the difference between the mol. structures of CN01 and PBTZ169 in crystal were analyzed. CN01 III [R = H; R¹ = H; R² = cyclohexyl] and PBTZ169 II showed completely different conformations of the piperazine ring. D. functional theory anal. (DFT) and mol. dynamics (MD) simulation were performed to provide more details to explain the different antitubercular activity. All the anal. based on crystallog., quantum chem., and mol. modeling lay a foundation for the subsequent structural optimization of 8-CN benzothiazinones III. In the experiment, the researchers used many compounds, for example, 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid (cas: 22227-59-4Recommanded Product: 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid).

2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid (cas: 22227-59-4) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Recommanded Product: 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid

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

Fabrication of polyarylate thin-film nanocomposite membrane based on graphene quantum dots interlayer for enhanced gas separation performance was written by Niu, Yuhui;Chen, Yuhao;Bao, Shanshan;Sun, Haixiang;Wang, Yaxuan;Ge, Baosheng;Li, Peng;Hou, Yingfei. And the article was included in Separation and Purification Technology in 2022.Safety of Trimesoylchloride This article mentions the following:

Interlayered-thin film nanocomposite (i-TFN) membranes with nanomaterials as the interlayer has attracted more and more attention of researchers in recent years due to the effective regulation of the separation layer structure in the membrane separation field. In this work, the amino-functionalized graphene quantum dots (N-GQDs) were synthesized and applied as an interlayer to modify the polyethersulfone (PES) ultrafiltration substrate. Then interfacial polymerization (IP) between trimesoyl chloride (TMC) and β-cyclodextrin (β-CD) was performed to prepare novel i-TFN polyarylate membranes for CO₂/N₂ separation The effect of the N-GQDs deposition amount on the structure and gas separation performance of the composite membrane was studied thoroughly. The results indicated that the i-TFN polyarylate membrane presented a particular sandwich structure and provided an effective transport channel for the diffusion of CO₂. Moreover, the affinity of the N-containing groups (e. g. amino and amide groups) in the i-TFN membrane and the CO₂ mols. helped to increase the CO₂/N₂ separation selectivity. At the optimal preparation condition, the obtained i-TFN membrane showed CO₂/N₂ selectivity of 23.3 with CO₂ permeance of 174.5 GPU. This work proposes a novel nanomaterial interlayer to effectively improve the gas permselectivity by regulating the structure of i-TFN membranes, which has significant instruction for the preparation of high-performance i-TFN by exploring the interlayer of other nanomaterials. In the experiment, the researchers used many compounds, for example, Trimesoylchloride (cas: 4422-95-1Safety of Trimesoylchloride).

Trimesoylchloride (cas: 4422-95-1) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Safety of Trimesoylchloride

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

Benzothiazoles exhibit broad-spectrum antitumor activity: Their potency, structure-activity and structure-metabolism relationships was written by Xie, Xilei;Yan, Yu;Zhu, Ning;Liu, Gang. And the article was included in European Journal of Medicinal Chemistry in 2014.Application of 1711-11-1 This article mentions the following:

An antitumor activity oriented benzothiazole sublibrary was constructed from a hit compound I via a five stepwise procedure. All target compounds were screened for their antitumor activity against 60 human cancer cell lines. Compounds II, III and IV, showing higher potency than hit I, were identified. Particularly, the compound II gave its average 50% growth inhibition (GIC₅₀) at 0.38 μM. Furthermore, incubation in human liver microsome primarily proved their metabolic stability in vitro. General structure-activity and structure-metabolism relationships were both summarized, which provides information on further strategically optimization. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Application of 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Application of 1711-11-1

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

¹⁷O NMR study of ortho and alkyl substituent effects in substituted phenyl and alkyl esters of benzoic acids was written by Nummert, Vilve;Maemets, Vahur;Piirsalu, Mare;Vahur, Signe;Koppel, Ilmar A.. And the article was included in Collection of Czechoslovak Chemical Communications in 2011.Reference of 5335-05-7 This article mentions the following:

¹⁷O NMR spectra for 44 ortho-, meta- and para-substituted Ph and alkyl benzoates (C₆H₅CO₂C₆H₄-X, C₆H₅CO₂R) at natural abundance in acetonitrile were recorded. Substituent effects on the ¹⁷O NMR chem. shifts, δ(¹⁷O), of the carbonyl oxygen and the single-bonded phenoxy (OPh) and alkoxy (OR) oxygens have been studied. The δ(¹⁷O) values of the carbonyl oxygen for para derivatives showed a good correlation with the σ° constants The δ(¹⁷O) values of carbonyl oxygen for ortho derivatives were found to be described well with the Charton equation containing the inductive, σ_I, resonance, σ°_R, and steric, E_s^B, substituent constants in case the data treatment was performed sep. for electron-donating +R and electron-attracting -R substituents. The electron-donating +R ortho and para substituents in substituted benzoates caused shielding and the electron-withdrawing -R substituents produced deshielding of the O signal. The steric interaction of ortho substituents with the ester group decreased the electron d. at the carbonyl oxygen. In alkyl benzoates the δ(¹⁷O) values were found to be described well with the inductive, σ_I, and the steric, E_s^B, substituent constants In the experiment, the researchers used many compounds, for example, Chloromethyl benzoate (cas: 5335-05-7Reference of 5335-05-7).

Chloromethyl benzoate (cas: 5335-05-7) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Reference of 5335-05-7

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