Tag: 200-300

2-(1-Adamantyl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}ethanone was written by Rouchal, Michal;Necas, Marek;Pires de Carvalho, Fabiana;Vicha, Robert. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2009.Synthetic Route of C8H8Cl2N4 This article mentions the following:

The structure of the title compound, C₂₇H₃₂ClN₅O, consists of two crystallog. independent conformers differing slightly in all geometric parameters. Both contain nearly planar purine and benzene ring systems [maximum deviations of 0.046 (3) and 0.005 (2) 脜, resp.], the dihedral angles between them being 76.44 (6) and 82.39 (6)掳, and an adamantane cage consisting of three fused cyclohexane rings in almost ideal chair conformations, with C-C-C angles in the range 108.7 (2)-110.6 (2)掳. The carbonyl plane and the benzene ring are almost coplanar [dihedral angles of 6.43 (9) and 0.64 (8)掳 in the two conformers]. The crystal structure is stabilized by intermol. N-H…N interactions that link adjacent mols. into dimers and by some non-bonding contacts of the C-H…Cl type. Crystallog. data are given. In the experiment, the researchers used many compounds, for example, 2,6-Dichloro-9-isopropyl-9H-purine (cas: 203436-45-7Synthetic Route of C8H8Cl2N4).

2,6-Dichloro-9-isopropyl-9H-purine (cas: 203436-45-7) 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.Synthetic Route of C8H8Cl2N4

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

Chemometric analysis of substituent effects. VI. A study of ortho effect in dissociation of 2,6-disubstituted benzoic acids was written by Kulhanek, Jiri;Pytela, Oldrich. And the article was included in Collection of Czechoslovak Chemical Communications in 1995.Application of 5344-49-0 This article mentions the following:

Ten 2,6-disubstituted benzoic acids have been synthesized containing all possible combinations of the following substituents: CH₃, OCH₃, cl, and NO₂. The dissociation constants of these acids have been measured by potentiometric titration in methanol, acetone, DMSO, DMF, acetonitrile, pyridine, and 1,2-dichloroethane. The exptl. data obtained together with the pK values of 2-substituted benzoic acids in the same solvents have been analyzed from the point of view of ortho effect and additivity of disubstitution. The mutual interaction between substituents was found to represent only 0.12% of the variability due to substitution and to contribute to the overall variability of data less than the interaction between the substituent and solvent by a factor of about 13. The anal. of data by the method of multiple linear regression revealed a contribution of steric effects beside the effects transmitted through the aromatic skeleton. The 2- and 6-substituents effects are additive within the validity of the Hammett equation,a nd an addition of a multiplicative term describing interactions between the substituents is statistically insignificant. Nonlinear regression has been adopted in the additive model with multiplicative term to find the inner substituent constants including all the effects of substituents from ortho position: the term describing the interaction between 2- and 6-substituents is statistically insignificant in this model. An application of the method of conjugated deviations revealed two statistically significant latent variables. The first one explains 91.5% of the variability of data and is connected with the substituent effects transmitted through the aromatic skeleton. The second one explains 7.5% of variability of data and predominantly reflects the steric effects of substituents. In the experiment, the researchers used many compounds, for example, 2-Chloro-6-nitrobenzoic acid (cas: 5344-49-0Application of 5344-49-0).

2-Chloro-6-nitrobenzoic acid (cas: 5344-49-0) 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).Application of 5344-49-0

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

Rationally Designed Small-Molecule Inhibitors Targeting an Unconventional Pocket on the TLR8 Protein-Protein Interface was written by Jiang, Shuangshuang;Tanji, Hiromi;Yin, Kejun;Zhang, Shuting;Sakaniwa, Kentaro;Huang, Jian;Yang, Yi;Li, Jing;Ohto, Umeharu;Shimizu, Toshiyuki;Yin, Hang. And the article was included in Journal of Medicinal Chemistry in 2020.Application In Synthesis of 2,4-Dichlorophenylisothiocyanate This article mentions the following:

Rational designs of small-mol. inhibitors targeting protein-protein interfaces have met little success. Herein, we have designed a series of triazole derivatives with a novel scaffold to specifically intervene with the interaction of TLR8 homomerization. In multiple assays, TH1027 was identified as a highly potent and specific inhibitor of TLR8. A successful solution of the X-ray crystal structure of TLR8 in complex with TH1027 provided an in-depth mechanistic insight into its binding mode, validating that TH1027 was located between two TLR8 monomers and recognized as an unconventional pocket, thereby preventing TLR8 from activation. Further biol. evaluations showed that TH1027 dose-dependently suppressed the TLR8-mediated inflammatory responses in both human monocyte cell lines, peripheral blood mononuclear cells, and rheumatoid arthritis patient specimens, suggesting a strong therapeutic potential against autoimmune diseases. In the experiment, the researchers used many compounds, for example, 2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1Application In Synthesis of 2,4-Dichlorophenylisothiocyanate).

2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Application In Synthesis of 2,4-Dichlorophenylisothiocyanate

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

Highly twisted adamantyl arotinoids: Synthesis, antiproliferative effects and RXR transactivation profiles was written by Perez-Rodriguez, Santiago;Ortiz, Maria A.;Pereira, Raquel;Rodriguez-Barrios, Fatima;de Lera, Angel R.;Piedrafita, F. Javier. And the article was included in European Journal of Medicinal Chemistry in 2009.COA of Formula: C9H9ClO3 This article mentions the following:

I (R = H, MeOCH₂CH₂OCH₂; R¹ = R² = H; R¹R² = CH:CH) and II (R = H, MeOCH₂CH₂OCH₂) are prepared as novel adamantyl biaryl arotinoids with decreased binding to retinoic acid receptors but with anticancer activity (by selective induction of apoptosis in cancer cells). I and II are prepared using Suzuki coupling reactions of an adamantylphenylboronic acid with a trifloxyphenylacetate, a trifloxycinnamate, and a trifloxynaphthoate. I (R = H, MeOCH₂CH₂OCH₂; R¹ = R² = H; R¹R² = CH:CH) show significant antiproliferative activity in several human cancer cell lines, with the anticancer activity correlated to the induction of apoptosis as measured by caspase activity. I (R = H, MeOCH₂CH₂OCH₂; R¹ = R² = H; R¹R² = CH:CH), while devoid of retinoic acid receptor binding capacity, transactivate the retinoid X receptor 伪. In the experiment, the researchers used many compounds, for example, Methyl 3-chloro-4-hydroxyphenylacetate (cas: 57017-95-5COA of Formula: C9H9ClO3).

Methyl 3-chloro-4-hydroxyphenylacetate (cas: 57017-95-5) 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. 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.COA of Formula: C9H9ClO3

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

Effect of exogenous nitric oxide on the volatile components in the petals of peony was written by Wang, Juan. And the article was included in Henong Xuebao in 2014.Recommanded Product: 3386-33-2 This article mentions the following:

To explore the effect of exogenous nitric oxide on volatile components in the petals of peony, 0.2 mmol路L^-1 nitric oxide (NO) donor sodium nitroprusside (SNP) was used to spray whole plant leaves in bud stage. SPME-GC-MS was used to determine the volatile components in petals of tree peony. Sixty-two kinds of volatile components were detected in the different blooming stages of peony and SNP treatment, including alkanes, terpenes, arenes, alcs., esters, ketones and heterocycles. Alkanes and terpenes were the most volatile components, and the most was at full bloom stage. Exogenous NO treatment reduced the types of alkanes, alcs. and early arenes at the petals of all blooming stages. There was no evident impact on the terpenes and ketones with esters wasn’t detected. NO treatment increased the alkanes content at full-bloom stage, decreased the contents of the terpenes, alcs. and arenes at the beginning bloom stage. Therefore, the type and content of volatile component were influenced by exogenous NO in petals of tree peony at different flowering stages. There was most influence at full blooming stage, followed by the beginning bloom stage. The impact on the end bloom stage was the min. This study will provide certain theor. basis for the development and utilization of peony flower. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2Recommanded Product: 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Recommanded Product: 3386-33-2

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

Synthesis of tosufloxacin p-tosylate was written by Liu, Mingliang;Sun, Lanying;Wei, Yonggang;Guo, Huiyuan. And the article was included in Zhongguo Yiyao Gongye Zazhi in 2003.Safety of Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate This article mentions the following:

The title compound was prepared from Et 2,6-dichloro-5-fluoronicotinoylacetate via condensation with CH(OEt)₃, 2,4-difluoroaniline displacement, cyclization, condensation with 3-aminopyrrolidine and hydrolysis in overall yield 72.6%. In the experiment, the researchers used many compounds, for example, Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6Safety 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 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Safety of Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate

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

Design, synthesis, and characterization of rhein analogs as novel inhibitors of scavenger receptor A was written by Zheng, Yi;Li, Xia;Pagare, Piyusha P.;Yuan, Yunyun;Wang, Xiang-Yang;Zhang, Yan. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2017.Reference of 90064-48-5 This article mentions the following:

Scavenger receptor A (SRA) has been known as an immunosuppressive factor and therefore therapeutic inhibition of SRA may be potentially exploited for cancer immunotherapy. The previous work suggested that rhein may act as an inhibitor of SRA in reversing immunosuppression of SRA during T cells activation. Herein, three deconstruction analogs of rhein were further studied as inhibitors of SRA. These three compounds, particularly compound I, also known as a natural product danthron, enhanced T cells activation, indicated by increased transcriptional activation of interleukin 2 (Il2) gene, production of IL-2 protein, and proliferation of T cells. Addnl., the interaction between these compounds and SRA was studied by mol. modeling. Compound I showed a favorable binding mode with the cysteine rich domain of SRA protein compared to the other compounds Collectively, those results would provide insight for future design and development of next generation rhein derivatives as SRA inhibitors. In the experiment, the researchers used many compounds, for example, 4-Chloro-2,5-dimethoxybenzaldehyde (cas: 90064-48-5Reference of 90064-48-5).

4-Chloro-2,5-dimethoxybenzaldehyde (cas: 90064-48-5) 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.Reference of 90064-48-5

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

Installation of synergistic binding sites onto porous organic polymers for efficient removal of perfluorooctanoic acid was written by Liu, Xiongli;Zhu, Changjia;Yin, Jun;Li, Jixin;Zhang, Zhiyuan;Li, Jinli;Shui, Feng;You, Zifeng;Shi, Zhan;Li, Baiyan;Bu, Xian-He;Nafady, Ayman;Ma, Shengqian. And the article was included in Nature Communications in 2022.Product Details of 76-83-5 This article mentions the following:

Herein, we report a strategy to construct highly efficient perfluorooctanoic acid (PFOA) adsorbents by installing synergistic electrostatic/hydrophobic sites onto porous organic polymers (POPs). The constructed model material of PAF-1-NDMB (NDMB = N,N-dimethyl-butylamine) demonstrates an exceptionally high PFOA uptake capacity over 2000 mg g^-1, which is 14.8 times enhancement compared with its parent material of PAF-1. And it is 32.0 and 24.1 times higher than benchmark materials of DFB-CDP (尾-cyclodextrin (尾-CD)-based polymer network) and activated carbon under the same conditions. Furthermore, PAF-1-NDMB exhibits the highest k₂ value of 24,000 g mg^-1 h^-1 among all reported PFOA sorbents. And it can remove 99.99% PFOA from 1000 ppb to <70 ppt within 2 min, which is lower than the advisory level of Environmental Protection Agency of United States. This work thus not only provides a generic approach for constructing PFOA adsorbents, but also develops POPs as a platform for PFOA capture. In the experiment, the researchers used many compounds, for example, (Chloromethanetriyl)tribenzene (cas: 76-83-5Product Details of 76-83-5).

(Chloromethanetriyl)tribenzene (cas: 76-83-5) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Product Details of 76-83-5

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

A versatile living polymerization method for aromatic amides was written by Pal, Subhajit;Nguyen, Dinh Phuong Trinh;Molliet, Angelique;Alizadeh, Mahshid;Crochet, Aurelien;Ortuso, Roberto D.;Petri-Fink, Alke;Kilbinger, Andreas F. M.. And the article was included in Nature Chemistry in 2021.Computed Properties of C19H15Cl This article mentions the following:

Polycondensation polymers typically follow step-growth kinetics assuming all functional groups are equally likely to react with one another. If the reaction rates with the chain end can be selectively accelerated, living polymers can be obtained. Here we report on two chlorophosphonium iodide reagents that have been synthesized from triphenylphosphine and tri(o-methoxyphenyl)phosphine. The former activates aromatic carboxylic acids as acid chlorides in the presence of secondary aromatic amines and the latter even in the presence of primary aromatic amines. These reagents allow p-aminobenzoic acid derivatives to form solution-stable activated monomers that polymerize in a living fashion in the presence of amine initiators. Other aryl amino acids and even dimers of aryl amino acids can be polymerized in a living fashion when slowly added to the phosphonium salt in the presence of an amine initiator. Diblock copolymers and triblock terpolymers of aryl amino acids can be prepared even in the presence of electrophilic functional groups. In the experiment, the researchers used many compounds, for example, (Chloromethanetriyl)tribenzene (cas: 76-83-5Computed Properties of C19H15Cl).

(Chloromethanetriyl)tribenzene (cas: 76-83-5) 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. 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.Computed Properties of C19H15Cl

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

Acyl/aroyl Meldrum’s acid as an enol surrogate for the direct organocatalytic synthesis of 伪,尾-unsaturated ketones was written by Khopade, Tushar M.;Warghude, Prakash K.;Mete, Trimbak B.;Bhat, Ramakrishna G.. And the article was included in Tetrahedron Letters in 2019.Reference of 5344-49-0 This article mentions the following:

The operationally simple, robust and straightforward organocatalytic protocol is developed for the synthesis of E-selective 伪,尾-unsaturated ketones. The method utilizes simple and easily accessible starting materials such as Meldrum’s acid, carboxylic acid, aldehyde and simple bifunctional amine catalyst. The tandem organocatalytic process utilizes acyl/aroyl Meldrum’s acid as an enol surrogate for the effective Doebner-Knoevenagel type condensation reactions. A wide variety of aldehydes, carboxylic acids and base sensitive functional groups are well tolerated under the mild reaction conditions. In the experiment, the researchers used many compounds, for example, 2-Chloro-6-nitrobenzoic acid (cas: 5344-49-0Reference of 5344-49-0).

2-Chloro-6-nitrobenzoic acid (cas: 5344-49-0) 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. 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.Reference of 5344-49-0

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