Tag: 100-200

Cu(OTf)₂ catalyzed three component strategy for the synthesis of thienopyridine containing spirooxindoles and their cytotoxic evaluation was written by Parthasarathy, K.;Praveen, C.;Kumar, P. Senthil;Balachandran, C.;Perumal, P. T.. And the article was included in RSC Advances in 2015.Name: 2-(Chloromethyl)-1,3-difluorobenzene This article mentions the following:

Synthesis of novel spirooxindoles e.g., I [R¹ = R² = H; Z = C(O)OCH₃; R = 2,5-F₂C₆H₃CH₂] via a three component reaction of thienopyridines, isatins and malononitriles under copper catalysis was accomplished. This one-pot, room temperature protocol allowed the synthesis of diversely substituted spirooxindoles I in excellent yield. Cytotoxicity towards COLO320 cells revealed that compound I possessing a 2,6-difluorobenzyl group (IC₅₀ of 49.1 μM) was found to be highly potent among the screened compounds In addition, mol. docking of compound I into caspase-3 receptors exhibited the largest binding energy (-10.5 kcal mol^-1) compared to other compounds The formation of a DNA ladder for compound I also supports the exptl. results. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4Name: 2-(Chloromethyl)-1,3-difluorobenzene).

2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4) 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.Name: 2-(Chloromethyl)-1,3-difluorobenzene

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

Biocatalytic Enantioselective Oxidative C-C Coupling by Aerobic C-H Activation was written by Schrittwieser, Joerg H.;Resch, Verena;Sattler, Johann H.;Lienhart, Wolf-Dieter;Durchschein, Katharina;Winkler, Andreas;Gruber, Karl;Macheroux, Peter;Kroutil, Wolfgang. And the article was included in Angewandte Chemie, International Edition in 2011.Computed Properties of C9H9ClO2 This article mentions the following:

The berberine bridge enzyme (BBE) was employed for the first preparative oxidative biocatalytic C-C coupling that leads to a new intramol. bond. This unique transformation requires O₂ as sole stoichiometric oxidant and gives access to novel optically pure (S)-berbine and (R)-1-benzyl-1,2,3,4-tetrahydroisoquinoline alkaloid derivatives by kinetic resolution In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Computed Properties of C9H9ClO2).

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

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

H₂O₂ production at gas-diffusion cathodes made from agarose-derived carbons with different textural properties for acebutolol degradation in chloride media was written by Zhang, Yanyu;Daniel, Giorgia;Lanzalaco, Sonia;Isse, Abdirisak Ahmed;Facchin, Alessandro;Wang, Aimin;Brillas, Enric;Durante, Christian;Sires, Ignasi. And the article was included in Journal of Hazardous Materials in 2022.Application In Synthesis of 5-Chloro-2-methoxybenzoic acid This article mentions the following:

The excessive cost, unsustainability or complex production of new highly selective electrocatalysts for H2O2 production, especially noble-metal-based ones, is prohibitive in the water treatment sector. To solve this conundrum, biomass-derived carbons with adequate textural properties were synthesized via agarose double-step pyrolysis followed by steam activation. A longer steam treatment enhanced the graphitization and porosity, even surpassing com. carbon black. Steam treatment for 20 min yielded the greatest surface area (1248 m2 g-1), enhanced the mesopore/micropore volume distribution and increased the activity (E1/2 = 0.609 V) and yield of H2O2 (40%) as determined by RRDE. The upgraded textural properties had very pos. impact on the ability of the corresponding gas-diffusion electrodes (GDEs) to accumulate H2O2, reaching Faradaic current efficiencies of ∼95% at 30 min. Acidic solutions of β-blocker acebutolol were treated by photoelectro-Fenton (PEF) process in synthetic media with and without chloride. In urban wastewater, total drug disappearance was reached at 60 min with almost 50% mineralization after 360 min at only 10 mA cm-2. Up to 14 degradation products were identified in the Cl–containing medium. In the experiment, the researchers used many compounds, for example, 5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2Application In Synthesis of 5-Chloro-2-methoxybenzoic acid).

5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2) 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. 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.Application In Synthesis of 5-Chloro-2-methoxybenzoic acid

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

Novel Pyrrolidine Derivatives of Budesonide as Long Acting Inhaled Corticosteroids for the Treatment of Pulmonary Inflammatory Diseases was written by Ghidini, Eleonora;Marchini, Gessica;Capelli, Anna Maria;Carnini, Chiara;Cenacchi, Valentina;Fioni, Alessandro;Facchinetti, Fabrizio;Rancati, Fabio. And the article was included in Journal of Medicinal Chemistry in 2018.Name: 1-(Chloromethyl)-3-methylbenzene This article mentions the following:

Inhaled corticosteroids (ICSs) represent the first line therapy for the treatment of asthma and are also extensively utilized in chronic obstructive pulmonary disease. Our goal was to develop a new ICS with a basic group, which can allow solid state feature modulation, achieving at the same time high local anti-inflammatory effect and low systemic exposure. Through a rational drug design approach, a new series of pyrrolidine derivatives of budesonide was identified. Within the series, several compounds showed nanomolar binding affinity (K_i) with GR that mostly correlated with the effect in inducing GR nuclear translocation in CHO cells and anti-inflammatory effects in macrophagic cell lines. Binding and functional cell-based assays allowed identifying compound 17 as a potent ICS agonist with a PK profile showing an adequate lung retention and low systemic exposure in vivo. Finally, compound 17 proved to be more potent than budesonide in a rat model of acute pulmonary inflammation. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Name: 1-(Chloromethyl)-3-methylbenzene).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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.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-(Chloromethyl)-3-methylbenzene

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

Synthesis and Evaluation of N-substituted (Z)-5-(Benzo[d][1,3]dioxol-5- ylmethylene)-2-Thioxothiazolidin-4-one Derivatives and 5-Substituted- Thioxothiazolidindione Derivatives as Potent Anticonvulsant Agents was written by Dong, Shiyang;Liu, Yanhua;Xu, Jun;Hu, Yue;Huang, Limin;Wang, Zengtao. And the article was included in CNS & Neurological Disorders: Drug Targets in 2019.Recommanded Product: 2-(Chloromethyl)-1,3-difluorobenzene This article mentions the following:

Background: Epilepsy is a serious and common neurol. disorder threatening the health of humans. Despite enormous progress in epileptic research, the anti-epileptic drugs present many limitations. These limitations prompted the development of more safer and effective AEDs. Methods: A series of N-substituted (Z)-5-(benzo[d][1,3]dioxol-5-ylmethylene)- 2-thioxothiazolidin-4- one derivatives and 5-substituted-thioxothiazolidindione derivatives were designed, synthesized and tested for anticonvulsant activity against maximal electroshock (MES) and s.c. pentylenetetrazole (scPTZ). Neurotoxicity was determined by the rotarod test. Results: Among them, the most potent 4e displayed high protection against MES-induced seizures with an ED50 value of 9.7 mg/kg and TD50 value of 263.3 mg/kg, which provided 4e with a high protective index (TD50/ED50) of 27.1 comparable to reference antiepileptic drugs. 4e clearly inhibits the NaV1.1 channel in vitro. The mol. docking study was conducted to exploit the results. Conclusion: Stiripentol is a good lead compound for further structural modification. Compound 4e was synthesized, which displayed remarkable anticonvulsant activities, and the NaV1.1 channel inhibition was involved in the mechanism of action of 4e. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4Recommanded Product: 2-(Chloromethyl)-1,3-difluorobenzene).

2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4) 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.Recommanded Product: 2-(Chloromethyl)-1,3-difluorobenzene

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

Access to Oxetane-Containing psico-Nucleosides from 2-Methyleneoxetanes: A Role for Neighboring Group Participation? was written by Liang, Yanke;Hnatiuk, Nathan;Rowley, John M.;Whiting, Bryan T.;Coates, Geoffrey W.;Rablen, Paul R.;Morton, Martha;Howell, Amy R.. And the article was included in Journal of Organic Chemistry in 2011.Computed Properties of C8H7ClO2 This article mentions the following:

The first psico-oxetanocin analog of the powerful antiviral natural product, oxetanocin A, has been readily synthesized from cis-2-butene-1,4-diol. Key 2-methyleneoxetane precursors were derived from β-lactones prepared by the carbonylation of epoxides. F⁺-mediated nucleobase incorporation provided the corresponding nucleosides in good yield but with low diastereoselectivity. Surprisingly, attempted exploitation of anchimeric assistance to increase the selectivity was not fruitful. A range of 2-methyleneoxetane and related 2-methylenetetrahydrofuran substrates was prepared to explore the basis for this. With one exception, these substrates also showed little stereoselectivity in nucleobase incorporation. Computational studies were undertaken to examine if neighboring group participation involving fused [4.2.0] or [4.3.0] intermediates is favorable. In the experiment, the researchers used many compounds, for example, Chloromethyl benzoate (cas: 5335-05-7Computed Properties of C8H7ClO2).

Chloromethyl benzoate (cas: 5335-05-7) 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. 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 C8H7ClO2

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

Design and synthesis of novel 1,3,4-oxadiazole sulfone compounds containing 3,4-dichloroisothiazolylamide moiety and evaluation of rice bacterial activity was written by Xiang, Jie;Liu, Dengyue;Chen, Jixiang;Hu, Deyu;Song, Baoan. And the article was included in Pesticide Biochemistry and Physiology in 2020.SDS of cas: 620-19-9 This article mentions the following:

In this study, thirty 1,3,4-oxadiazole sulfone derivatives containing 3,4-dichloroisothiazolamide moiety I [X = CH₂, R¹ = H, Me; X = CH₂CH₂, R¹ = H; R² = Me, i-Pr, PhCH₂, thiophen-3-ylmethyl, etc.] were designed and synthesized and their antibacterial activities were evaluated. Bioassay results showed that some compounds exhibited excellent antibacterial activities against Xanthomonas oryzae pv. oryzae (Xoo) and Xanthomonas oryzae pv. oryzicola (Xoc) in vitro and in vivo. Notably, the EC₅₀ values of compounds I (X = CH₂; R¹ = H; R² = Et, n-Pr) against Xoo were 0.79 and 0.85μg/mL, resp., which were superior to those of the control agents isotianil, bismerthiazol and thiodiazole copper. In addition, in vivo antibacterial activities revealed that the compound I (X = CH₂; R¹ = H; R² = Et) at 50μg/mL possessed protective and curative activities of 43.99% and 41.06% against Xoo, resp., which were better than pos. controls. Furthermore, the preliminary mechanism study disclosed that this compound exhibited effective antibacterial activity against Xoo by inhibiting the formation of extracellular polysaccharides from Xoo, increasing cell permeability and changing the shape of cells. This study suggested that 1,3,4-oxadiazole sulfone derivatives containing 3,4-dichloroisothiazolamide moiety displayed excellent antibacterial activity and could be further explored and developed as com. pesticides. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9SDS of cas: 620-19-9).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.SDS of cas: 620-19-9

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

Studies of thiomorpholine derivatives. III. Reaction of 2-substituted-3-oxoperhydro-2H-1,4-thiazine-5-carboxylic acids and their methyl esters with sulfuryl chloride was written by Muro, Tomio. And the article was included in Yakugaku Zasshi in 1982.SDS of cas: 7476-66-6 This article mentions the following:

Each diastereomer was isolated from a mixture of (2R,5R)-I and (2S,5R)-I, which was derived from L-cysteine, by using SOCl₂ and their stereostructure was clarified by NMR. When each diastereomer I was treated with equivalent SO₂l₂, (1S,4R)-II was obtained. The reaction of thiazinecarboxylates III (R = Et, Me₂CH) with SO₂Cl₂ afforded alkylidene-thiazinecarboxylates IV (R¹ = H, Me). The reaction of (5R)-III (R = Ph) with SO₂Cl₂ gave [PhCOCONHCH(CO₂Me)CH₂S]₂ and (2R,5R,2′S,5′S)-V. In the experiment, the researchers used many compounds, for example, Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6SDS of cas: 7476-66-6).

Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.SDS of cas: 7476-66-6

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

Structure activity relationship exploration of 5-hydroxy-2-(3-phenylpropyl)chromones as a unique 5-HT_2B receptor antagonist scaffold was written by Kim, Minsoo;Truss, Myles;Pagare, Piyusha P.;Essandoh, Martha A.;Zhang, Yan;Williams, Dwight A.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2020.Category: chlorides-buliding-blocks This article mentions the following:

Antagonists for the serotonin receptor 2B (5-HT_2B) have clin. applications towards migraine, anxiety, irritable bowl syndrome, and MDMA abuse; however, few selective 5-HT_2B antagonists have been identified. Previous studies from these labs identified a natural product, 5-hydroxy-2-(2-phenylethyl)chromone (5-HPEC, 2) as the first non-nitrogenous ligand for the 5-HT_2B receptor. Studies on 5-HPEC optimization led to the identification of 5-hydroxy-2-(3-phenylpropyl)chromone (5-HPPC, 3), which showed a tenfold improvement in binding affinity over 2 at 5-HT_2B. This study aimed to further improve receptor pharmacol. of this unique scaffold. Guided by mol. modeling studies modifications at the C-3′ and C-4′ positions of 3 were made to probe their effects on ligand binding affinity and efficacy. Among the derivatives synthesized 5-hydroxy-2-(3-(3-cyanophenyl)propyl)chromone (5-HCPC, 3d) showed the most promise with a multifold improvement in binding affinity (pK_i = 7.1 ± 0.07) over 3 with retained antagonism. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Category: chlorides-buliding-blocks).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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. 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.Category: chlorides-buliding-blocks

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

Replacement by chlorine of the hydroxyl group in esters of hydroxy acids by means of phosphorus oxychloride and pyridine (steric course of the substitution) was written by Wagner-Jaurego, Theodor. And the article was included in Technische Hochschule, Zurich. Helv. Chim. Acta in 1929.Safety of Methyl 2-chloro-2-phenylacetate This article mentions the following:

POCl₃ can be used to replace OH by Cl in HO acids, provided pyridine is present. In its absence, dehydration often occurs. The chlorination is often accompanied by a reversal in polarity of the optically active acids d-Chlorosuccinic ester is prepared by treating 12.2 g. of l-malic acid (α_D^16.6 -4.62°) and 11.9 g. pyridine with 11.5g. of cold POCl₃, allowing to stand for 1 hr. in a freezing mixture After 22 hrs.’ standing at room temperature, the mass is decomposition with H₂O and extracted with CHCl₃. The extract is washed with H₂O, dried with Na₂SO₄ and distilled It b₁₆, 110-1° (yield 4.8 g.). After refractionation it b_10-1 106-7° (uncorrected), α_D²⁰ +36.6°. Me phenylchloroacetate: 7.4 g. of d-mandelic acid, α_D¹⁸ (CS₂) 172 (pure acid: 214°) + 7.1 g. pyridine + 6.8 g, POCl₃ yielded 4.2 g. b_19-20 133-40°. After refractionation it b_.15.5-14 130-1 (corrected) α_D¹⁸-62.2° (calculated for optically pure product -77.4°) dl-Isomer: 12.5 g. di-mandelic acid + 12 g. pyridine + 11.5 g. POCl₃ gave 6.8 g. of dl-product; b_13-15 129-30° (corrected). In the experiment, the researchers used many compounds, for example, Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6Safety of Methyl 2-chloro-2-phenylacetate).

Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6) 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.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.Safety of Methyl 2-chloro-2-phenylacetate

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