Month: January 2023

Suspect, non-target and target screening of pharmaceuticals and personal care products (PPCPs) in a drinking water system was written by Wang, Yu-Qing;Hu, Li-Xin;Zhao, Jia-Hui;Han, Yu;Liu, You-Sheng;Zhao, Jian-Liang;Yang, Bin;Ying, Guang-Guo. And the article was included in Science of the Total Environment in 2022.SDS of cas: 101-20-2 This article mentions the following:

Drinking water quality and safety are very important in protecting human health. Chem. contaminants in drinking water system have become an increasing concern. Our knowledge about what chems. are present in drinking water is still limited. Here we screened chems. of emerging concern in a conventional drinking water system based on suspect, non-target screening and target anal., and assessed their variations in different seasons and different treatment units. Overall, 720 chems. were identified with HRMS databases from the suspect and non-target screening and 48 chems. in five categories were further confirmed with the high confidence level, with predominance of pharmaceuticals and personal care products (PPCPs) and pesticides. Four compounds are newly found in aquatic environment with no literature or chem. occurrence data record. Temporal variations and variable removals were observed for these chems. in the system. Target anal. of 110 PPCPs showed detection of 21, 19 and 22 compounds in the drinking water treatment plant with a concentration range of 0.11-844 ng/L in the three seasons, but only 8, 9 and 15 compounds detected in tap water (0.16-32.5 ng/L). The variations of the detected chems. were less obvious in tap water, with most having concentrations below 2 ng/L. The results indicated efficient removal for most PPCPs in the drinking water system. The findings from this study demonstrated the strong capability of combined non-target screening and target anal. in identifying and assessing various organic chems. in drinking water system. 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. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. 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).SDS of cas: 101-20-2

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

Ti-Mediated Efficient Reductive Dehalogenation of Carbon-Halogen Bonds was written by Gonzalez-Delgado, Jose A.;Prieto, Consuelo;Enriquez, Lourdes;Jaraiz, Martin;Lopez-Perez, Jose L.;Barrero, Alejandro F.;Arteaga, Jesus F.. And the article was included in Asian Journal of Organic Chemistry in 2016.Product Details of 3386-33-2 This article mentions the following:

A mild and efficient methodol. for the reductive dehalogenation of carbon-halogen bonds in both activated (allylic or benzylic) and non-activated halides with excess Ti^III was thoroughly described. A detailed computational and exptl. study corroborates that the reaction occurred via the allyl(benzyl) radical and allyl(benzyl)-Ti, which was protonated by a Bronsted acid and proceeds regioselectively in the case of allylic derivatives This synthetic method was compatible with a wide range of functional groups and reaction conditions and thus presented a mild process for reductive dehalogenation in the field of organic synthesis. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2Product Details of 3386-33-2).

1-Chlorooctadecane (cas: 3386-33-2) 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.Product Details of 3386-33-2

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

Structure of olefin-metal complexes was written by Baenziger, Norman C.;Doyle, J. R.;Richards, G. F.;Carpenter, C. L.. And the article was included in U.S. Dept. Com., Office Tech. Serv., PB Rept. in 1961.Application In Synthesis of Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II) This article mentions the following:

Refinements of determined x-ray values for the structures of VIIa and norbornadiene.PdCl₂ were carried out; the structure of IIa was determined from single crystal studies. In the experiment, the researchers used many compounds, for example, Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II) (cas: 12083-92-0Application In Synthesis of Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II)).

Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II) (cas: 12083-92-0) 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Application In Synthesis of Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II)

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

Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase was written by Hu, Chia-Wei;Worth, Matthew;Fan, Dacheng;Li, Baobin;Li, Hao;Lu, Lei;Zhong, Xiaofang;Lin, Ziqing;Wei, Liming;Ge, Ying;Li, Lingjun;Jiang, Jiaoyang. And the article was included in Nature Chemical Biology in 2017.Recommanded Product: 26340-58-9 This article mentions the following:

O-linked β-N-acetylglucosamine (O-GlcNAc) transferase (OGT) is an essential human glycosyltransferase that adds O-GlcNAc modifications to numerous proteins. However, little is known about the mechanism with which OGT recognizes various protein substrates. Here we report on GlcNAc electrophilic probes (GEPs) to expedite the characterization of OGT-substrate recognition. Data from mass spectrometry, X-ray crystallization, and biochem. and radiolabeled kinetic assays support the application of GEPs to rapidly report the impacts of OGT mutations on protein substrate or sugar binding and to discover OGT residues crucial for protein recognition. Interestingly, we found that the same residues on the inner surface of the N-terminal domain contribute to OGT interactions with different protein substrates. By tuning reaction conditions, a GEP enables crosslinking of OGT with acceptor substrates in situ, affording a unique method to discover genuine substrates that weakly or transiently interact with OGT. Hence, GEPs provide new strategies to dissect OGT-substrate binding and recognition. In the experiment, the researchers used many compounds, for example, (E)-4-Chlorobut-2-enoic acid (cas: 26340-58-9Recommanded Product: 26340-58-9).

(E)-4-Chlorobut-2-enoic acid (cas: 26340-58-9) 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: 26340-58-9

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

UV irradiation-initiated substitution reaction in isomeric N,N-dimethyl-p-chloroanilines in the presence of oxidizing agents was written by Kul’bitskaya, O. V.;Frolov, A. N.;El’tsov, A. V.. And the article was included in Zhurnal Organicheskoi Khimii in 1979.Category: chlorides-buliding-blocks This article mentions the following:

The sensitized photolysis of 4-ClC₆H₄NMe₂ with NaNO₂ gave mainly I and only 1-2% 4-O₂NC₆H₄NMe₂ (II); direct irradiation gave no I and up to 60% II. Irradiation of 2- or 3-ClC₆H₄NMe₂ gave isomers of I having the NO₂ group para to the NMe₂ group. The role of cation radicals in these reactions was discussed. In the experiment, the researchers used many compounds, for example, 2-Chloro-N,N-dimethylaniline (cas: 698-01-1Category: chlorides-buliding-blocks).

2-Chloro-N,N-dimethylaniline (cas: 698-01-1) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. 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.Category: chlorides-buliding-blocks

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

Design, synthesis and biological activities of sorafenib derivatives as antitumor agents was written by Yao, Jianwen;He, Zuopeng;Chen, Jing;Sun, Wei;Fang, Hao;Xu, Wenfang. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2012.Name: 2,4-Dichlorophenylisothiocyanate This article mentions the following:

A series of novel sorafenib derivatives was designed and synthesized in high yields using various substituted anilines, and their antiproliferative activities against HCT116, PC-3 and MDA-MB-231 cell lines were also evaluated and described. All compounds exhibited potent antiproliferative activity against HCT116 and PC-3 cells with IC₅₀ = 2.8-52.0 and 2.2-45.6 μM; compounds I [R = Et, cyclopropyl] demonstrated competitive antiproliferative activities to sorafenib against all three cancer cell lines; the cytotoxicity of compound I [R = cyclohexyl] is more potent than that of sorafenib. Some compounds were chosen for further evaluation of the anti-angiogenesis activity, and showed the inhibition of sprout formation from aortic ring ex vivo. The structures of all the newly synthesized compounds were determined by ¹H NMR, ¹³C NMR and HRMS. In the experiment, the researchers used many compounds, for example, 2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1Name: 2,4-Dichlorophenylisothiocyanate).

2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1) 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.Name: 2,4-Dichlorophenylisothiocyanate

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

Simultaneous determination of triclosan, triclocarban, triclocarban metabolites and byproducts in urine and serum by ultra-high-performance liquid chromatography/electrospray ionization tandem mass spectrometry was written by Luo, Qiong;Zhang, Hongna;Zhou, Yanqiu;Liu, Zehua;Cai, Zongwei. And the article was included in Rapid Communications in Mass Spectrometry in 2021.Name: 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea This article mentions the following:

Rationale : Triclosan (TCS) and triclocarban (TCC) are ubiquitous antimicrobial agents incorporated in consumer and personal care products. Due to their human health risks, it is essential to develop a sensitive and accurate anal. method to simultaneously quantify TCS, TCC, as well as their metabolites and byproducts in urine and serum samples. Methods : The quant. parameters of TCS, TCC, TCC metabolites and byproducts (2â€?OH-TCC, 3â€?OH-TCC, 6-OH-TCC, DHC, DCC, NCC) were optimized by using ultra-high-performance liquid chromatog./electrospray ionization tandem mass spectrometry (UHPLC/ESI-MS/MS). Enzymic hydrolysis of the samples was optimized based on enzyme dosage and incubation time. The efficiencies of solid-phase extraction (SPE) and liquid-liquid extraction (LLE) were compared. The effectiveness of the established method was evaluated, and method application was validated using real urine and serum samples. Results : The conjugates were sufficiently hydrolyzed under 500 U/mL β-glucuronidase and 80 U/mL sulfatase at 37°C for 4 h. Compared with the LLE method, SPE achieved higher extraction efficiency in both urine and serum samples. The optimized SPE-UHPLC/ESI-MS/MS method showed low limits of detection (LODs) in the range 0.001-0.3 ng/mL and good linearity (R² > 0.99) at 0.01-150 ng/mL in both matrixes. Excellent recoveries of 82.0%-120.7% (urine) and 76.7%-113.9% (serum) were obtained with low relative standard deviation (RSD, <7.6%) for inter-day and intra-day injections. This method was applicable to quantify target compounds in multiple biol. urine and serum samples. Notably, TCS and TCC were detected with average concentrations of 8.37 and 10.46 ng/mL, resp., in 15 Chinese female urine samples, with the simultaneous detection of TCC metabolites and byproducts. Conclusions : A reliable method was established to simultaneously determine TCS, TCC, TCC metabolites and byproducts in urine and serum samples by using UHPLC/ESI-MS/MS. This sensitive methodol. provides the basis for the evaluation of TCS and TCC exposure at the metabolic level. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2Name: 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea).

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.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.Name: 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea

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

Allylic Amination by a DNA-Diene-Iridium(I) Hybrid Catalyst was written by Fournier, Pierre;Fiammengo, Roberto;Jaeschke, Andres. And the article was included in Angewandte Chemie, International Edition in 2009.Quality Control of Chlorobis(ethylene)iridium(I) dimer This article mentions the following:

DNA hybrid catalysis goes organometallic: DNA strand functionalized with diene ligands forms iridium(I) complexes that can efficiently catalyze an allylic amination in aqueous medium of PhCH(OAc)CH=CH₂ with morpholine to give the corresponding Ph vinyl derivative I. The DNA-based complexes show high stability and activity, and their secondary structure influences the stereoselectivity of the reaction. In the experiment, the researchers used many compounds, for example, Chlorobis(ethylene)iridium(I) dimer (cas: 39722-81-1Quality Control of Chlorobis(ethylene)iridium(I) dimer).

Chlorobis(ethylene)iridium(I) dimer (cas: 39722-81-1) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Quality Control of Chlorobis(ethylene)iridium(I) dimer

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

1,1,2-Triphenylbut-1-enes: relationship between structure, estradiol receptor affinity, and mammary tumor inhibiting properties was written by Schneider, Martin R.;Von Angerer, Erwin;Schoenenberger, Helmut;Michel, Ralf T.;Fortmeyer, H. P.. And the article was included in Journal of Medicinal Chemistry in 1982.Synthetic Route of C9H9ClO2 This article mentions the following:

A structure-activity study was carried out on the title compounds I (R, R¹, and R² = H or OCOMe) with regard to estradiol  [50-28-2] receptor affinity and to inhibiting effects on the growth of a postmenopausal human mammary carcinoma implanted in nude mice. The para-substituted compounds generally exhibited a higher receptor affinity and a better antitumor activity than the corresponding meta-substituted ones. The E isomers were superior to the resp. Z isomers in those 2 properties. The tumor-inhibiting effect of the mono- and disubstituted compounds was better than that of the trisubstituted ones. Except for the trisubstituted compounds, they all showed a good correlation between estradiol receptor affinity and antitumor activity. One of the compounds was also tested on the 9,10-dimethylbenz[a]anthracene-induced, hormone-dependent mammary carcinoma of the Sprague-Dawley rat and the results corresponded to those obtained in the xenograft tumor. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Synthetic Route of C9H9ClO2).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) 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.Synthetic Route of C9H9ClO2

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

Lewis acid-controlled reactions of zirconacyclopentadienes with isocyanates and isothiocyanates. One-pot three- or four-component synthesis of multiply substituted iminocyclopentadienes and butadiene-tethered 1,6-bisamides and electrophilic cyclization was written by Hu, Qiaoshu;Lu, Jiang;Wang, Congyang;Wang, Chao;Xi, Zhenfeng. And the article was included in Tetrahedron in 2007.Recommanded Product: 2,4-Dichlorophenylisothiocyanate This article mentions the following:

Multiply substituted zirconacyclopentadienes including bicyclic zirconacyclopentadienes and zirconaindenes reacted with isocyanates and isothiocyanates in the presence of Lewis acids to afford iminocyclopentadienes and conjugated 1,6-bisamides, depending on the nature of Lewis acids, isocyanates, and isothiocyanates used. Only in the presence of BF₃ could iminocyclopentadienes be obtained in high isolated yields when zirconacyclopentadienes were treated with isocyanates. On the contrary, BF₃ could not mediate the reaction of zirconacyclopentadienes with isothiocyanates. For the reactions of zirconacyclopentadienes with isothiocyanates, EtAlCl₂ was found effective to generate iminocyclopentadienes as the products. Interestingly, however, for the reactions of zirconacyclopentadienes with isocyanates, EtAlCl₂ was found to work very differently from BF₃. Instead of iminocyclopentadienes, conjugated 1,6-bisamides and conjugated mono-amides were obtained as products in high isolated yields from the reactions of zirconacyclopentadienes with isocyanates, depending on the substituents of isocyanates. The reaction path and products could be controlled by Lewis acids. As a demonstration of the usefulness of thus obtained unsaturated bisamides, electrophilic cyclization using acids, NBS, and I₂ was carried out. Electrophilic cyclization of multisubstituted conjugated 1,6-bisamide derivatives afforded cyclic iminoethers in excellent yields with perfect selectivity. Only one of the amide groups took part in the electrophilic cyclization. In the experiment, the researchers used many compounds, for example, 2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1Recommanded Product: 2,4-Dichlorophenylisothiocyanate).

2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1) 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.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: 2,4-Dichlorophenylisothiocyanate

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