Tag: 200-300

Synthesis of biaryls via intramolecular free radical ipso-substitution reactions was written by Ujjainwalla, Feroze;da Mata, Maria Lucilia E. N.;Pennell, Andrew M. K.;Escolano, Carmen;Motherwell, William B.;Vazquez, Santiago. And the article was included in Tetrahedron in 2015.Application of 63624-28-2 This article mentions the following:

A variety of functionalized biaryls and heterobiaryls are prepared by intramol. free radical [1,5]-ipso-substitution using sulfonamide and sulfonate derived tethering chains. The overall efficiency of the process is determined by appropriately positioned substituents on the aromatic acceptor ring. The extension of the process to benzylic sulfonates and their corresponding N-methylsulfonamide alternatives as substrates in potential [1,6]-ipso-substitution reactions leads mainly to the alternative [1,7] addition products. In the experiment, the researchers used many compounds, for example, 2,4-Dimethoxybenzene-1-sulfonyl chloride (cas: 63624-28-2Application of 63624-28-2).

2,4-Dimethoxybenzene-1-sulfonyl chloride (cas: 63624-28-2) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Application of 63624-28-2

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

Arenesulfonic acid derivatives. XI. Synthesis of sulfonamides, hydrazides, and ureas containing a benzofuran moiety was written by Kaldrikyan, M. A.;Geboyan, V. A.;Aroyan, A. A.;Stepanyan, N. O.;Sapondzyan, L. G.;Sarkisyan, L. M.. And the article was included in Armyanskii Khimicheskii Zhurnal in 1980.Synthetic Route of C10H13ClO3S This article mentions the following:

Sixteen amides I (R, R¹ = Me, Et, Pr, Bu) were obtained in 61-91% yield by reaction of p-ROC₆H₄SO₂Cl (II) with the corresponding benzofuranylalkylamine. Treatment of 2-benzofurancarboxylic hydrazide with II gave 72-80% III, which could also be obtained using the benzofurancarbonyl chloride and p-ROC₆H₄SO₂NHNH₂. Eight IV (R = Me, Et, Pr, Bu; R¹ = Me, Et) were obtained in 45-74% yield by reaction of p-ROC₆H₄SO₂NHCO₂Et with the corresponding benzofuranylalkylamine. The hypoglycemic and anticonvulsive properties of I, III and IV were determined; none exhibited anticonvulsive properties and I (R = R¹ = Pr) reduced blood glucose content by 20% at 250 mg/kg. All the remaining compounds exhibited hyperglycemic activity. In the experiment, the researchers used many compounds, for example, 4-Butoxybenzene-1-sulfonyl chloride (cas: 1138-56-3Synthetic Route of C10H13ClO3S).

4-Butoxybenzene-1-sulfonyl chloride (cas: 1138-56-3) 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.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.Synthetic Route of C10H13ClO3S

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

Structural Re-engineering of the 伪-Helix Mimetic JY-1-106 into Small Molecules: Disruption of the Mcl-1-Bak-BH3 Protein-Protein Interaction with 2,6-Di-Substituted Nicotinates was written by Drennen, Brandon;Scheenstra, Jacob A.;Yap, Jeremy L.;Chen, Lijia;Lanning, Maryanna E.;Roth, Braden M.;Wilder, Paul T.;Fletcher, Steven. And the article was included in ChemMedChem in 2016.Synthetic Route of C8H8ClNO3 This article mentions the following:

The disruption of aberrant protein-protein interactions (PPIs) with synthetic agents remains a challenging goal in contemporary medicinal chem. but some progress has been made. One such dysregulated PPI is that between the anti-apoptotic Bcl-2 proteins, including myeloid cell leukemia-1 (Mcl-1), and the 伪-helical Bcl-2 homol.-3 (BH3) domains of its pro-apoptotic counterparts, such as Bak. Herein, we describe the discovery of small-mol. inhibitors of the Mcl-1 oncoprotein based on a novel chemotype. Particularly, re-engineering of our 伪-helix mimetic JY-1-106 into 2,6-di-substituted nicotinates afforded inhibitors of comparable potencies but with significantly decreased mol. weights The most potent inhibitor 2-(benzyloxy)-6-(4-chloro-3,5-dimethylphenoxy)nicotinic acid (1 r: K_i=2.90 渭m) likely binds in the p2 pocket of Mcl-1 and engages R263 in a salt bridge through its carboxylic acid, as supported by 2D ¹H-¹⁵N HSQC NMR data. Significantly, inhibitors were easily accessed in just four steps, which will facilitate future optimization efforts. In the experiment, the researchers used many compounds, for example, Methyl 6-chloro-2-methoxynicotinate (cas: 65515-32-4Synthetic Route of C8H8ClNO3).

Methyl 6-chloro-2-methoxynicotinate (cas: 65515-32-4) 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. 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.Synthetic Route of C8H8ClNO3

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

Ethyl 4-chloro-3-nitrobenzoate was written by Li, Hao-Yuan;Liu, Bo-Nian;Tang, Shi-Gui;Xu, Ye-Ming;Guo, Cheng. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2008.Product Details of 16588-16-2 This article mentions the following:

In the mol. of Et 4-chloro-3-nitrobenzoate, C₉H₈ClNO₄, an intramol. C-H路路路O H bond gave a planar 5-membered ring, which is nearly coplanar with the adjacent 6-membered ring, the rings being oriented at a dihedral angle of 4.40(3)掳. In the crystal structure, intermol. C-H路路路O H bonds link the mols. Crystallog. data are given. In the experiment, the researchers used many compounds, for example, Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2Product Details of 16588-16-2).

Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2) 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.Product Details of 16588-16-2

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

A new class of bradykinin 1 receptor antagonists containing the piperidine acetic acid tetralin core was written by Fotsch, Christopher;Biddlecome, Gloria;Biswas, Kaustav;Chen, Jian Jeff;D’Amico, Derin C.;Groneberg, Robert D.;Han, Nianhe Bruce;Hsieh, Feng-Yin;Kamassah, Augustus;Kumar, Gondi;Lester-Zeiner, Dianna;Liu, Qingyian;Mareska, David A.;Riahi, Babak Bobby;Wang, Yueh-Ju Judy;Yang, Kevin;Zhan, James;Zhu, Joe;Johnson, Eileen;Ng, Gordon;Askew, Benny C.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2006.Related Products of 1138-56-3 This article mentions the following:

The bradykinin 1 (B1) receptor is upregulated during times of inflammation and is important for maintaining inflamed and chronic pain states. Blocking this receptor has been shown to reverse and/or ameliorate pain and inflammation in animal models. In this report, we describe a new class of B1 receptor antagonists that contain the piperidine acetic acid tetralin core. A structure-activity relationship for these analogs is described in this paper. The most potent compounds from this class have IC₅₀s < 20 nM in a B1 receptor functional assay. One of these compounds, I, shows modest oral bioavailability in rats. In the experiment, the researchers used many compounds, for example, 4-Butoxybenzene-1-sulfonyl chloride (cas: 1138-56-3Related Products of 1138-56-3).

4-Butoxybenzene-1-sulfonyl chloride (cas: 1138-56-3) 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.Related Products of 1138-56-3

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

Catalytic pyrolysis of Alcea pallida stems in a fixed-bed reactor for production of liquid bio-fuels was written by Aysu, Tevfik. And the article was included in Bioresource Technology in 2015.HPLC of Formula: 3386-33-2 This article mentions the following:

Pyrolysis of Alcea pallida stems was performed in a fixed-bed tubular reactor with and without catalyst at three different temperatures The effects of pyrolysis parameters including temperature and catalyst on the product yields were investigated. It was found that higher temperature resulted in lower liquid (bio-oil) and solid (bio-char) yields and higher gas yields. Catalysts had different effects on product yields and composition of bio-oils. Liquid yields were increased in the presence of zinc chloride and alumina but decreased with calcium hydroxide, tincal and ulexite. The highest bio-oil yield (39.35%) by weight including aqueous phase was produced with alumina catalyst at 500 掳C. The yields of bio-char, bio-oil and gas produced, as well as the compositions of the resulting bio-oils were determined by elemental anal., TGA, FT-IR and GC-MS. 160 different compounds were identified by GC-MS in the bio-oils obtained at 500 掳C. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2HPLC of Formula: 3386-33-2).

1-Chlorooctadecane (cas: 3386-33-2) 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. 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).HPLC of Formula: 3386-33-2

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

Reprint of “CON4EI: Bovine Corneal Opacity and Permeability (BCOP) test for hazard identification and labelling of eye irritating chemicals” was written by Verstraelen, Sandra;Maglennon, Gareth;Hollanders, Karen;Boonen, Francis;Adriaens, Els;Alepee, Nathalie;Drzewiecka, Agnieszka;Gruszka, Katarzyna;Kandarova, Helena;Willoughby, Jamin A. Sr.;Guest, Robert;Schofield, Jane;Van Rompay, An R.. And the article was included in Toxicology In Vitro in 2018.COA of Formula: C10H8Cl2FNO3 This article mentions the following:

Assessment of ocular irritation potential is an international regulatory requirement in the safety evaluation of industrial and consumer products. None in vitro ocular irritation assays are capable of fully categorizing chems. as stand-alone. Therefore, the CEFIC-LRI-AIMT6-VITO CON4EI consortium assessed the reliability of eight in vitro test methods and computational models as well as established a tiered-testing strategy. One of the selected assays was Bovine Corneal Opacity and Permeability (BCOP). In this project, the same corneas were used for measurement of opacity using the OP-KIT, the Laser Light-Based Opacitometer (LLBO) and for histopathol. anal. The results show that the accuracy of the BCOP OP-KIT in identifying Cat 1 chems. was 73.8% while the accuracy was 86.3% for No Cat chems. BCOP OP-KIT false neg. were often related to an in vivo classification driven by conjunctival effects only. For the BCOP LLBO, the accuracy in identifying Cat 1 chems. was 74.4% vs. 88.8% for No Cat chems. The BCOP LLBO seems very promising for the identification of No Cat liquids but less so for the identification of solids. Histopathol. as an addnl. endpoint to the BCOP test method does not reduce the false neg. rate substantially for in vivo Cat 1 chems. In the experiment, the researchers used many compounds, for example, Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6COA of Formula: C10H8Cl2FNO3).

Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6) 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.COA of Formula: C10H8Cl2FNO3

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

Homolytic displacement at carbon centers. XII. Regiospecific formation of N-allyl and N-cyclopropylcarbinyl sulfonamides and of allyl and cyclopropyl halides in the reaction of N-halo compounds with organocobaloximes was written by Johnson, Michael D.;Lampman, Gary M.;Koops, Roger W.;Das Gupta, B.. And the article was included in Journal of Organometallic Chemistry in 1987.Quality Control of 2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide This article mentions the following:

Reaction of RCo(dmgH)₂py [I, dmgH = dimethylglyoximato; R = R¹CR²:CHCH₂, H₂C:CR¹(CH₂)₂; R¹ = H, Me; R² = H, Me, Ph] with R³SO₂NMeCl (II, R³ = Me, Ph) gave R⁴CR¹R²CH:CH₂ (III) and cyclopropanes IV (R⁴ = R³SO₂NMe, Cl), resp., by attack of an N-centered radical on the terminal unsaturated carbon of I. Reaction of I [R = R¹CH:CHCH₂, H₂C:CR¹(CH₂)₂; R¹ = H, Me] with AcNHBr, NBS, N-chlorosuccinimide, and N-chlorosaccharin gave III and IV (R⁴ = Br, Cl) by attack of a halogen-containing free radical on the terminal unsaturated carbon of I. Bromination of Me(CH₂)₅CH:CH₂ with AcNHBr in the presence of 0.3 mol % I (R = MeCHEt) gave BrCH₂CHBr(CH₂)₅Me in 92% yield after 1 h. In the experiment, the researchers used many compounds, for example, 2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide (cas: 14070-51-0Quality Control of 2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide).

2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide (cas: 14070-51-0) 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.Quality Control of 2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide

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

Synthesis of Pyrido[1,2-a]benzimidazoles by Electroreductive Heterocyclization of 1-(2-nitroaryl)pyridinium Chlorides was written by Sokolov, Aleksandr A.;Syroeshkin, Mikhail A.;Begunov, Roman S.;Rusakova, Nadezhda N.;Gultyai, Vadim P.. And the article was included in Mendeleev Communications in 2012.Application In Synthesis of Ethyl 4-chloro-3-nitrobenzoate This article mentions the following:

The electrochem. reduction of N-(2-nitro-4-R-phenyl)pyridinium chlorides (R = CF₃, CN, CO₂Et) at a lead cathode in HCl/iPrOH/H₂O affords the corresponding 7-R-pyrido[1,2-a]benzimidazoles in 70-94% yields. In the experiment, the researchers used many compounds, for example, Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2Application In Synthesis of Ethyl 4-chloro-3-nitrobenzoate).

Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2) 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).Application In Synthesis of Ethyl 4-chloro-3-nitrobenzoate

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

Development of the EpiOcular eye irritation test for hazard identification and labelling of eye irritating chemicals in response to the requirements of the EU cosmetics directive and REACH legislation was written by Kaluzhny, Yulia;Kandarova, Helena;Hayden, Patrick;Kubilus, Joseph;d’Argembeau-Thornton, Laurence;Klausner, Mitchell. And the article was included in ATLA, Alternatives to Laboratory Animals in 2011.Quality Control of Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate This article mentions the following:

The recently implemented 7th Amendment to the EU Cosmetics Directive and the EU REACH legislation have heightened the need for in vitro ocular test methods. To address this need, the EpiOcular eye irritation test (EpiOcular-EIT), which utilizes the normal (non-transformed) human cell-based EpiOcular tissue model, has been developed. The EpiOcular-EIT prediction model is based on an initial training set of 39 liquid and 21 solid test substances and uses a single exposure period and a single cut-off in tissue viability, as determined by the MTT assay. A chem. is classified as an irritant (GHS Category 1 or 2), if the tissue viability is 鈮?60%, and as a non-irritant (GHS unclassified), if the viability is > 60%. EpiOcular-EIT results for the training set, along with results for an addnl. 52 substances, which included a range of alcs., hydrocarbons, amines, esters, and ketones, discriminated between ocular irritants and non-irritants with 98.1% sensitivity, 72.9% specificity, and 84.8% accuracy. To ensure the long-term com. viability of the assay, EpiOcular tissues produced by using three alternative cell culture inserts were evaluated in the EpiOcular-EIT with 94 chems. The assay results obtained with the initial insert and the three alternative inserts were very similar, as judged by correlation coefficients (r²) that ranged from 0.82 to 0.96. The EpiOcular-EIT was pre-validated in 2007/2008, and is currently involved in a formal, multi-laboratory validation study sponsored by the European Cosmetics Association (COLIPA) under the auspices of the European Center for the Validation of Alternative Methods (ECVAM). The EpiOcular-EIT, together with EpiOcular’s long history of reproducibility and proven utility for ultra-mildness testing, make EpiOcular a useful model for addressing current legislation related to animal use in the testing of potential ocular irritants. In the experiment, the researchers used many compounds, for example, Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6Quality Control of Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate).

Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6) 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Quality Control of Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate

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