Month: October 2022

《Pd-catalyzed amidation of 1,3-diketones with CO and azides via a nitrene intermediate》 was published in Chemical Communications (Cambridge, United Kingdom) in 2020. These research results belong to Gu, Zheng-Yang; Chen, Jie; Xia, Ji-Bao. Computed Properties of C4H3ClO2S2 The article mentions the following:

An efficient Pd-catalyzed amidation of 1,3-diketones has been developed using carbon monoxide and organic azides. This reaction provides a step-economic approach to produce β-ketoamides from readily available compounds under mild ligand-, oxidant-, and base-free conditions. The mechanistic studies showed that the reaction occurred through an in situ generated isocyanate intermediate. The experimental part of the paper was very detailed, including the reaction process of Thiophene-2-sulfonyl chloride(cas: 16629-19-9Computed Properties of C4H3ClO2S2)

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. Computed Properties of C4H3ClO2S2

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

《Synthesis of di(hetero)aryl sulfides by defluorinative sulfenylation of polyfluoroalkyl ketones with sodium sulfinates or arylsulfonyl chlorides》 was written by Chu, Xue-Qiang; Xie, Ting; Wang, Ya-Wen; Li, Xiang-Rui; Rao, Weidong; Xu, Haiyan; Shen, Zhi-Liang. Application of 16629-19-9 And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2020. The article conveys some information:

A facile incorporation of a privileged sulfide, naphthofurans e.g., 2-(perfluoroethyl)-3-(p-tolylthio)naphtho[1,2-b]furan framework, and a perfluoroalkyl moiety in one mol. was successfully accomplished through tandem defluorinative sulfenylation of α-perfluoroalkyl ketones e.g., 2-(Perfluorobutyl)-3,4-dihydronaphthalen-1(2H)-one with a sulfur source RS(O)ONa/RS(O)OCl (R = Ph, naphthalen-1-yl, thiophen-2-yl, etc.). The reaction presumably proceeds via a sequence involving defluorination, reductive sulfenylation, autoaromatization, and annulation, accompanied by the simultaneous cleavage of four C(sp3)-F bonds and the formation of new C-S and C-O bonds. The experimental process involved the reaction of Thiophene-2-sulfonyl chloride(cas: 16629-19-9Application of 16629-19-9)

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. Application of 16629-19-9

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

Product Details of 16629-19-9In 2022 ,《Visible-light photocatalytic radical addition-translocation-cyclization to construct sulfonyl-containing azacycles》 appeared in Chemical Communications (Cambridge, United Kingdom). The author of the article were Liang, Yu-Qing; Xu, Yi-Xin; Cai, Zhong-Jian; Ji, Shun-Jun. The article conveys some information:

Herein, a novel visible-light photocatalytic radical addition-translocation-cyclization (RATC) approach for the efficient synthesis of sulfonyl-containing azacycles is described. The reaction delivers a wide range of monocyclic, bicyclic and polycyclic azacycles by using easily prepared sodium sulfinates and N-homopropargylic amines as starting materials. Instead of the traditionally used toxic tin reagents and thermally hazardous azos in the RATC process, clean, renewable and sustainable visible light combined with a catalytic amount of photosensitizer is used in this process. Moreover, the successful transformation of some drug derivatives further highlights the potential application of this procedure. The results came from multiple reactions, including the reaction of Thiophene-2-sulfonyl chloride(cas: 16629-19-9Product Details of 16629-19-9)

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. Product Details of 16629-19-9

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

In 1972,Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya included an article by Kadentsev, V. I.; Chizhov, O. S.; Yanovskaya, L. A.; Kucherov, V. F.. Recommanded Product: Ethyl 3-(4-chlorophenyl)propanoate. The article was titled 《Oxygen rearrangement of aromatic and unsaturated acid esters. 4. Mass spectra of p- and m-substituted esters of β-phenylpropionic acid and their heterocyclic analogs》. The information in the text is summarized as follows:

The title mass spectra for meta and para isomers of XC6H4(CH2)2CO2Et (X = Me, MeO, Cl, Br, H), as well as analogs, revealed that the nature of X and its position in the ring both affected the fragmentation. The Class I groups did not interfere with the oxygen-rearrangement, with the meta isomers showing somewhat stronger orienting effect than the para isomers; substituents of Class II inhibited this rearrangement almost totally but did cause a similar rearrangement. Thus, the ester with a m-O2N group was converted to I, while the para isomer yielded II. Both were formed through an intermediate 6-atom ring transition state. In the part of experimental materials, we found many familiar compounds, such as Ethyl 3-(4-chlorophenyl)propanoate(cas: 7116-36-1Recommanded Product: Ethyl 3-(4-chlorophenyl)propanoate)

Ethyl 3-(4-chlorophenyl)propanoate(cas: 7116-36-1) belongs to organochlorine compounds. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. 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.Recommanded Product: Ethyl 3-(4-chlorophenyl)propanoate

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

《Bicarbazole-based oxalates as photoinitiating systems for photopolymerization under UV-Vis LEDs》 was published in Journal of Polymer Science (Hoboken, NJ, United States) in 2020. These research results belong to Zhou, Ruchun; Jin, Ming; Malval, Jean-Pierre; Pan, Haiyan; Wan, Decheng. Application In Synthesis of Methyl 2-chloro-2-oxoacetate The article mentions the following:

Photoinitiators are critical to initiate chain reactions in photopolymerization For such applications, the absorption of photoinitiator must be compatible with the emission of light sources and enables the fast manufacturing of three-dimensional network or structures. Light-emitting diode (LED) is a new kind of energy-saving and environmental protection light source, exhibiting a substantial response in the near UV and visible range to replace the traditional mercury lamp and other light sources in photopolymerization Here, we introduce Me oxalate into bicarbazole chromophore (BiCz). By variation of the single or double substituents in the BiCz, we demonstrate that the absorption spectra can be adjusted and red shift to visible range and show good absorption in the near UV and visible range (365-475 nm). We explore their photochem. based on exptl. results and theor. calculations and the mechanism of photoreactions have been verified. The super photostability by themselves and good hydrogen abstraction ability from amine co-initiator make them as excellent near UV and visible light active photoinitiators. Critically, the photoinitiation of the free-radical polymerization of acrylate monomers with low content (0.1% concentration) upon LED irradiation at 365-475 nm, exhibits excellent application potential in light curing and other fields. In addition to this study using Methyl 2-chloro-2-oxoacetate, there are many other studies that have used Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3Application In Synthesis of Methyl 2-chloro-2-oxoacetate) was used in this study.

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. In the laboratory, acyl chlorides are generally prepared by treating carboxylic acids with thionyl chloride (SOCl2). The reaction is catalyzed by dimethylformamide and other additives.Application In Synthesis of Methyl 2-chloro-2-oxoacetate

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

《Rational design of small molecules able to inhibit α-synuclein amyloid aggregation for the treatment of Parkinson′s disease》 was written by Vittorio, Serena; Adornato, Ilenia; Gitto, Rosaria; Pena-Diaz, Samuel; Ventura, Salvador; De Luca, Laura. Category: chlorides-buliding-blocks And the article was included in Journal of Enzyme Inhibition and Medicinal Chemistry in 2020. The article conveys some information:

Parkinson′s disease is one of the most common neurodegenerative disorders in elderly age. One of the mechanisms involved in the neurodegeneration appears related to the aggregation of the presynaptic protein alpha synuclein (α-syn) into toxic oligomers and fibrils. To date, no highly effective treatment is currently available; therefore, there is an increasing interest in the search of new therapeutic tools. The modulation of α-syn aggregation represents an emergent and promising disease-modifying strategy for reducing or blocking the neurodegenerative process. Herein, by combining in silico and in vitro screenings we initially identified 3-(cinnamylsulfanyl)-5-(4-pyridinyl)-1,2,4-triazol-4-amine () as α-syn aggregation inhibitor that was then considered a promising hit for the further design of a new series of small mols. Therefore, we rationally designed new hit-derivatives that were synthesized and evaluated by biol. assays. Lastly, the binding mode of the newer inhibitors was predicted by docking studies. In the experiment, the researchers used 1-(Bromomethyl)-4-chlorobenzene(cas: 622-95-7Category: chlorides-buliding-blocks)

1-(Bromomethyl)-4-chlorobenzene(cas: 622-95-7) undergoes carbonylation in the presence of dimer of chloro(1,5-cyclooctadiene)rhodium(I) to yield the corresponding phenylacetic acid.Category: chlorides-buliding-blocks It can be synthesized by reacting 4-chlorobenzyl alcohol with bromodimethylsulfonium bromide (BDMS) It can also be synthesized by refluxing a mixture of 4-chlorobenzaldehyde, chlorotrimethylsilane, 1,1,3,3-tetramethyldisiloxane and lithium bromide.

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

Abdel-Maksoud, Mohammed S.; Mohamed, Ahmed A. B.; Hassan, Rasha M.; Abdelgawad, Mohamed A.; Chilingaryan, Garri; Selim, Samy; Abdel-Bakky, Mohamed S.; Al-Sanea, Mohammad M. published their research in International Journal of Molecular Sciences in 2021. The article was titled 《Design, Synthesis and Anticancer Profile of New 4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-amine-Linked Sulfonamide Derivatives with V600EBRAF Inhibitory Effect》.Electric Literature of C6H4Cl2O2S The article contains the following contents:

A series of 4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-amine linked sulfonamide derivatives, I [R = 4-fluorophenyl, 4-methoxyphenyl, 1-naphthyl, etc., n = 1, 2] was designed and synthesized according to the structure of well-established V600EBRAF inhibitors. The terminal sulfonamide moiety was linked to the pyrimidine ring via either ethylamine or propylamine bridge. The designed series I was tested at fixed concentration (1μM) against V600EBRAF, finding that I [R = 4-fluorophenyl, n = 2; R = 4-trifluoromethyl, n = 1, 2] exhibited the strongest inhibitory activity among all target compounds and I [R = 4-trifluoromethyl, n = 2] had the lowest IC50 of 0.49μM. They were further screened on NCI 60 cancer cell lines to reveal that I [R = 4-trifluoromethyl, n = 1] showed the most significant growth inhibition against multiple cancer cell lines. Therefore, cell cycle anal. of I [R = 4-trifluoromethyl, n = 1] was conducted to investigate the effect on cell cycle progression. Finally, virtual docking studies was performed to gain insights for the plausible binding modes of vemurafenib, I [R = 4-fluorophenyl, n = 2; R = 4-trifluoromethyl, n = 1, 2]. In addition to this study using 4-Chlorobenzenesulfonyl chloride, there are many other studies that have used 4-Chlorobenzenesulfonyl chloride(cas: 98-60-2Electric Literature of C6H4Cl2O2S) was used in this study.

4-Chlorobenzenesulfonyl chloride(cas: 98-60-2) belongs to organochlorine compounds. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Electric Literature of C6H4Cl2O2S

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

《Colorimetric screening of bacterial enzyme activity and inhibition based on the aggregation of gold nanoparticles》 was written by Jiang, Tingting; Liu, Rongrong; Huang, Xianfeng; Feng, Huajun; Teo, Weiling; Xing, Bengang. Category: chlorides-buliding-blocks And the article was included in Chemical Communications (Cambridge, United Kingdom) on April 21 ,2009. The article conveys some information:

A simple and novel gold nanoparticle (Au-NPs) based colorimetric method has been developed for efficient screening of class A β-lactamase (Bla) activity and inhibitors in vitro and in bacterial strains. In the experiment, the researchers used many compounds, for example, (6R,7R)-Benzhydryl 7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride(cas: 79349-53-4Category: chlorides-buliding-blocks)

(6R,7R)-Benzhydryl 7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride(cas:79349-53-4) is one of azetidine.Azetidines (azacyclobutanes) constitute a well-known class of heterocyclic compounds. Azetidine scaffold has been discovered in several natural products.Category: chlorides-buliding-blocks Several pharmacologically important synthetic compounds also contain azetidine ring. Because of inherent ring strain, the synthesis of azetidines is a challenging endeavor.

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

Formula: C7H6Cl2On November 30, 2020 ,《Novel Benzoxazin-3-one Derivatives: Design, Synthesis, Molecular Modeling, Anti-HIV-1 and Integrase Inhibitory Assay》 appeared in Medicinal Chemistry (Sharjah, United Arab Emirates). The author of the article were Safakish, Mahdieh; Hajimahdi, Zahra; Vahabpour, Rouhollah; Zabihollahi, Rezvan; Zarghi, Afshin. The article conveys some information:

Integrase is a validated drug target for anti-HIV-1 therapy. The second generation integrase inhibitors display π-stacking interaction ability with 3′-end nucleotide as a streamlined metal chelating pharmacophore. In this study, we introduced benzoxazin-3-one scaffold for integrase inhibitory potential as bioisostere replacement strategy of 2-benzoxazolinone. Mol. modeling studies revealed that amide functionality alongside oxadiazole heteroatoms and sulfur in the second position of oxadiazole ring could mimic the metal chelating pharmacophore. The halobenzyl ring occupies hydrophobic site created by the cytidylate nucleotide (DC-16). The most potent and selective compound displayed 110μM IC50 with a selectivity index of more than 2. In the experimental materials used by the author, we found 3-Chlorobenzylchloride(cas: 620-20-2Formula: 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.Formula: C7H6Cl2

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

The author of 《Synthesis and cytotoxicity evaluation of N-(5-(substituted-benzylthio)-1,3,4 thiadiazole-2-yl)-2-p-nitrophenylacetamide derivatives as potential anticancer agents》 were Aliabadi, Alireza; Fereidooni, Rezvan. And the article was published in Iranian Journal of Chemistry & Chemical Engineering in 2019. Quality Control of 3-Chlorobenzylchloride The author mentioned the following in the article:

Cancer is a big global problem and is one of the top and main causes of mortality in developed countries. Many of the current treatments and anticancer therapeutics have problems with severe side effects and on the other hand, the drug resistance is also another obstacle in the cancer chemotherapy. Hence, there is a strong demand for the discovery and development of effective new antineoplastic therapies. According to the in vitro effectiveness of 1,3,4-thiadiazole based compounds as anticancer agents, new 1,3,4-thiadiazole based derivatives with various electron withdrawing and electron donating moieties were synthesized and tested by MTT assay against three cancerous cell lines. PC3 (Prostate cancer), U87-C-531 (Glioblastoma) and MDA-MB-231 (Breast cancer) cell lines were applied for MTT assay and obtained results were compared to imatinib. Study of the structure activity relationship of prepared compounds showed electron withdrawing substituents such as Cl, F and NO2 enhanced the anticancer properties compared to compound without any substituent (compound 3l) or compounds with electron donating (methoxy) substituent (compounds 3j and 3k). Totally, compound 3a (IC50 = 10.6 μM) showed superior activity against PC3 cell line and compounds 3d (IC50 = 10.3 μM), 3h (IC50 = 12.5 μM) and 3j (IC50 = 11.3 μM) exhibited higher activity against MDA-MB-231 cell line compared to imatinib as reference drug. After reading the article, we found that the author used 3-Chlorobenzylchloride(cas: 620-20-2Quality Control of 3-Chlorobenzylchloride)

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.Quality Control of 3-Chlorobenzylchloride

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