Category: 16588-16-2

Non-Nucleoside Benzimidazole-Based Allosteric Inhibitors of the Hepatitis C Virus NS5B Polymerase: Inhibition of Subgenomic Hepatitis C Virus RNA Replicons in Huh-7 Cells was written by Beaulieu, Pierre L.;Bousquet, Yves;Gauthier, Jean;Gillard, James;Marquis, Martin;McKercher, Ginette;Pellerin, Charles;Valois, Serge;Kukolj, George. And the article was included in Journal of Medicinal Chemistry in 2004.Computed Properties of C9H8ClNO4 This article mentions the following:

A previously disclosed series of nonnucleoside allosteric inhibitors of the NS5B polymerase of the hepatitis C virus (HCV) was optimized to yield novel compounds with improved physicochem. properties and activity in cell-based assays. Replacement of ionizable carboxylic acids with neutral substituents in lead compounds produced inhibitors with cellular permeability and antiviral activity in a cell-based assay of subgenomic HCV RNA replication (replicon EC₅₀ as low as 1.7 渭M). The improvement in potency in this ex vivo model of HCV RNA replication validates, in part, the mechanism by which this class of allosteric benzimidazole derivatives inhibits the polymerase and represents a significant step forward in the discovery of novel HCV therapeutics. In the experiment, the researchers used many compounds, for example, Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2Computed Properties of C9H8ClNO4).

Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Computed Properties of C9H8ClNO4

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

Study of denitrocyclization in synthesis of dibenzoxazepinones and dibenzothioazepinones was written by Sakharov, V. N.;Kalandadze, L. S.;Khristolyubova, T. A.;Smirnov, A. V.;Plakhtinskii, V. V.;Ivashchenko, A. V.. And the article was included in Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya in 2008.Computed Properties of C9H8ClNO4 This article mentions the following:

The anal. of kinetic data of intermol. nucleophilic substitution of the 2′-nitro group in series of the diphenylsulfide- and diphenyloxide-2-carboxyamides with carboxyamide group participation has been carried out. The denitrocyclization reaction has been shown to proceed with Smiles rearrangement and spiro-蟽-complex formation limited the process of the dibenzothio- or dibenzoxazepinones. No data on the formation of dibenzothio- or dibenzoxazepinones are reported. In the experiment, the researchers used many compounds, for example, Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2Computed Properties of C9H8ClNO4).

Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. 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.Computed Properties of C9H8ClNO4

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

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

Synthesis and Photoluminescent Properties of 2-(3-Carboxymethylindazol-1-yl)anilines was written by Shetnev, A. A.;Panova, V. A.;Kutuzova, P. M.;Tarasenko, M. V.;Zhmykhova, M. V.;Baykov, S. V.;Filimonov, S. I.. And the article was included in Russian Journal of General Chemistry in 2021.Product Details of 16588-16-2 This article mentions the following:

A two-stage method for the preparation of 2-(3-carboxymethylindazol-1-yl)anilines using the N-arylation reaction of 3-carboxymethylindazoles with o-nitrohaloarenes and subsequent reduction of nitro-containing intermediates with tin(II) chloride was developed. The exptl. results showed that the use of the synthesized compounds as fluorophores in the visible region of the spectrum is promising. 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Product Details of 16588-16-2

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

Ethyl 3-nitro-4-(n-propylamino)benzoate was written by Zhang, Guo-Hua;Wu, Yong Zhong;Li, Hao-Yuan;Liu, Bo-Nian;Guo, Cheng. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2009.Computed Properties of C9H8ClNO4 This article mentions the following:

In the mol. of the title compound, C₁₂H₁₆N₂O₄, an intramol. N-H…O hydrogen bond results in the formation of a six-membered ring having an envelope conformation. In the crystal structure, a bifurcated intra/intermol. N-H…(O,O) hydrogen bond generates inversion dimers. Crystallog. data are given. In the experiment, the researchers used many compounds, for example, Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2Computed Properties of C9H8ClNO4).

Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2) 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. 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 C9H8ClNO4

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

Synthesis of 1-aryl- and 1-alkyl-2,3-dimethylquinoxalinium perchlorates. Part 3. Synthesis of 1,2,3-trimethyl-6-X- and 1-cyclohexyl-2,3-dimethyl-6-X-quinoxalinium perchlorates was written by Schelz, D.;Rotzler, N.. And the article was included in Dyes and Pigments in 1983.Safety of Ethyl 4-chloro-3-nitrobenzoate This article mentions the following:

The title compounds (I; R = cyclohexyl, Me; R¹ = H₂N, MeO, Me, AcNH, H, halogen, EtO₂C, F₃C, MeSO₂, O₂N), useful as precursors for naphthophenazinone dyes were synthesized starting with 2-nitrohalobenzenes. The preferred method of condensing the diamine intermediate (II) with 2,3-butanedione聽聽[431-03-8] in mixtures of HOAc and HClO₄ was not successful whenever R¹ was a strongly electron-withdrawing substituent. But in those cases R¹ stabilized the corresponding enamines III, which could be obtained very easily. In the experiment, the researchers used many compounds, for example, Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2Safety of Ethyl 4-chloro-3-nitrobenzoate).

Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. 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 Ethyl 4-chloro-3-nitrobenzoate

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

Investigation of pyrazolo[1,5-a]quinoxalin-4-ones as novel monoamine oxidase inhibitors was written by Panova, Valeria A.;Filimonov, Sergey I.;Chirkova, Zhanna V.;Kabanova, Mariya V.;Shetnev, Anton A.;Korsakov, Mikhail K.;Petzer, Anel;Petzer, Jacobus P.;Suponitsky, Kyrill Yu. And the article was included in Bioorganic Chemistry in 2021.Synthetic Route of C9H8ClNO4 This article mentions the following:

The present study synthesized a series of pyrazolo[1,5-a]quinoxalin-4-one derivatives I [R¹ = H, Me, MeO, Cl; R² = NH₂, CN, Me(CO)NH, Et(O)OC; R³ = H, HO, acetyloxidanyl, (2-ethoxy-2-oxoethyl)oxidanyl] and evaluated them as potential inhibitors of human MAO-A and MAO-B. The results showed that derivatives I [R¹ = H, MeO, Cl; R² = NH₂, Me(CO)NH; R³ = H, HO, acetyloxidanyl] inhibited MAO-A, and derivatives I [R¹ = Me, MeO; R² = CN; R³ = H, (2-ethoxy-2-oxoethyl)oxidanyl] inhibited MAO-B with IC₅₀ values in the submicromolar range (<1μM). The most potent MAO-A inhibitor, I [R¹ = Cl, R² = MeC(O)NH, R³ = acetyloxidanyl], exhibited an IC₅₀ value of 0.028μM and displayed 50-fold selectivity for MAO-A over MAO-B. The most potent MAO-B inhibitor, I [R¹ = Me, R² = CN, R³ = H], exhibited an IC₅₀ value of 0.617μM and displayed 8-fold selectivity for MAO-B. This was the first reported MAO inhibition by pyrazolo[1,5-a]quinoxalin-4-one derivatives, I and this study concluded that these compounds I were suitable lead for the future development of MAO inhibitors, particularly of the MAO-A isoform. In the experiment, the researchers used many compounds, for example, Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2Synthetic Route of C9H8ClNO4).

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.Synthetic Route of C9H8ClNO4

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

Polar effects of substituents on the reaction rates of 4-R and 5-R-2-nitrochlorobenzenes with pipefidine in benzene was written by Greizerstein, W.;Bonelli, R. A.;Brieux, J. A.. And the article was included in Journal of the American Chemical Society in 1962.Related Products of 16588-16-2 This article mentions the following:

The rate constants for the reaction of fourteen 4-Rand of twelve 6-R-2-nitrochlorobenzenes with piperidine in benzene solution were determined The reactions were carried out at constant temperature in sealed tubes each containing 10 ml. benzene solution of the reactants, 0.1M in the halogen compound and 1.0M in piperidine. Cl^– was determined by potentiometric titration after addition of 10 ml. 20% HNO₃. Rate constants were calculated by means of the equation k₂ = {2.303/[t(b – 2a)]} log {a(b – 2x)/b(a – x)}, where a and b were the molar concentrations of the halogen compound and piperidine, rasp., and x the concentration of Cl^– at time t. Data from duplicate runs did not differ by more than 1% and rate constants were reproducible within ±2% by independent experiments A spectrophotometric technique was used for compounds having the substituents: 4-NO₂, 3-CN, 4-CO₂Et, 4-PhN:N, 4-F₃C, and 5-CN. The absorption due to the substituted N-phenylpiperidine produced in the reaction was measured at 390420 mμ with a Beckman DU spectrophotometer. Initial concentrations ranged from 10^-4 to 10^-5M for the halogen compound and piperidine was 10²-10³ times in excess. Samples were removed from the thermostat, cooled rapidly to room temperature, and the absorbency measured directly. Pseudomonomol. rate constants were calculated graphically from the plot of O.D._∞exptl.-O.D._t; versus t (O.D, = optical d.); second-order rate constants were obtained from these by dividing by the concentration of piperidine. The results were tabulated and showed that in the nucleophilic substitution of these compounds the polarity of the substituted carbon atom was mainly determined by the overall polar effect of the substituent. The reaction followed the Hammett relationship log k_R/k_H = σ^*ρ. Using Jaffe’s σ^* values, which are equivalent to Hammett’s σ-constants for most substituents studied, a ρ-value of +3.80 with a correlation coefficient r = 0.934 resulted. For the 4-R-2-nitrochlorobenzenes, alone a ρ-constant of +4.08 with a correlation coefficient of 0.922 was obtained. In order to estimate the mesomeric interaction between a 5-substituent R and the nitro group para to each other, the values of log k_2-5R versus σ^*_meta were introduced into Hammett’s graphic plot of log k_2-4R versus σ^*_4R with ρ = 4.08. From this, the difference between σ^*_meta values employed and the amended σ-values fitting the exptl. data into the equation log k_2-5R = log k_2-H + 4.08. σ_amended was evaluated for each m-substituent. The differences for most substituents were small, but for m-CN, m-CO₂Et, and m-Ph the σ_amended values were smaller than the σ-constants by 0.24, 0.20, and 0.20 units, resp., showing that the activating influence of the nitro group ortho to the site of reaction was roughly constant but smaller than the overall effect in most compounds studied. 4-Chloro-3-nitrobenzotrifluoride and 4-chloro-3-nitroazobenzene showed an inversion of relative reactivity between 35 and 45°, but the order for the more reactive compounds at 45°, k_4-No2 > k_4-CN > k_4-CO2Et > k_4-F3C gt; k_4-C6H5N2 > k_4-CO2H gt; k_4-halogen was that expected from their total polar effects upon the site of substitution. The 3-chloro-4-nitrobenzoic acid reacted slower than the p- and o-substituted isomer. The substituents 4-OMe, 4-OEt, and 4-NH₂ were found to be deactivating by their mesomeric effect, while halogens produced a marked increase in the rate, specially from the m-position, due to their neg. inductive effect. A Me group in the m-position gave a slight decrease of the rate, this being more pronounced if Me was in the p-position. The phenyl group slightly enhanced the reactivity from the m-positions, a greater increment being observed from the p-position. In the experiment, the researchers used many compounds, for example, Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2Related Products 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Related Products of 16588-16-2

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

Novel antiprotozoal products: Imidazole and benzimidazole N-oxide derivatives and related compounds was written by Aguirre, Gabriela;Boiani, Mariana;Cerecetto, Hugo;Gerpe, Alejandra;Gonzalez, Mercedes;Sainz, Yolanda Fernandez;Denicola, Ana;De Ocariz, Carmen Ochoa;Nogal, Juan Jose;Montero, David;Escario, Jose Antonio. And the article was included in Archiv der Pharmazie (Weinheim, Germany) in 2004.Safety of Ethyl 4-chloro-3-nitrobenzoate This article mentions the following:

The syntheses and biol. evaluation of the first anti-protozoa imidazole N-oxide and benzimidazole N-oxide and their derivatives are reported. They were tested in vitro against two different protozoa, Trypanosoma cruzi and Trichomonas vaginalis. Derivative I, ethyl-1-(i-butyloxycarbonyloxy)-6-nitrobenzimidazole-2-carboxylate, displayed activity on both protozoa. Lipophilicity and redox potential were exptl. determined in order to study the relationship with activity of the compounds These properties are well related with the observed bioactivity. Imidazole and benzimidazole N-oxide derivatives are becoming leaders for further chem. modifications and advanced biol. studies. In the experiment, the researchers used many compounds, for example, Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2Safety of Ethyl 4-chloro-3-nitrobenzoate).

Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. 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.Safety of Ethyl 4-chloro-3-nitrobenzoate

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