Tag: 100-200

One-step eantioselective bioresolution for (S)-2-chlorophenylglycine methyl ester catalyzed by the immobilized Protease 6SD on multi-walled carbon nanotubes in a triphasic system was written by Weng, Chun-Yue;Wang, Dan-Na;Ban, Shan-Yun;Zhai, Qiu-Yao;Hu, Xin-Yi;Cheng, Feng;Wang, Ya-Jun;Zheng, Yu-Guo. And the article was included in Journal of Biotechnology in 2021.Formula: C9H10ClNO2 The following contents are mentioned in the article:

(S)-2-chlorophenylglycine Me ester ((S)-1) is a key chiral building block of clopidogrel, which is a widely administered antiaggregatory and antithrombotic drug. Herein, Protease 6SD was covalently immobilized on multi-walled carbon nanotubes (MWCNT), and the as-prepared immobilizate P-6SD@NH₂-MWCNT was applied in the enantioselective resolution of (R,S)-1 to yield (S)-1. In order to overcome the poor solubility of (R,S)-1 in aqueous solution, a novel triphasic reaction system constituting P-6SD@NH₂-MWCNT, aqueous phase and Me tert-Bu ether (MTBE) as the organic phase was constructed, which simultaneously improved the substrate solubility and the immobilizate recyclability. Under the optimized reaction conditions, P-6SD@NH₂-MWCNT catalyzed 10 mM (R,S)-1 for 2 h, yielding optically pure (S)-1 (>99.0% ee_s) with 70.74% conversion of the (R,S)-1. Moreover, P-6SD@NH₂-MWCNT can be reused for 15 batches, displaying an exquisite recycling performance. It is for the first time that enantiomerically pure (S)-1 was successfully synthesized by protease-catalyzed one-step resolution This study involved multiple reactions and reactants, such as (S)-Methyl 2-amino-2-(2-chlorophenyl)acetate (cas: 141109-14-0Formula: C9H10ClNO2).

(S)-Methyl 2-amino-2-(2-chlorophenyl)acetate (cas: 141109-14-0) 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.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.Formula: C9H10ClNO2

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

Ultrathin Fe-N_x-C single-atom catalysts with bifunctional active site for simultaneous production of ethylene and aromatic chlorides was written by Gan, Guoqiang;Li, Xinyong;Fan, Shiying;Yin, Zhifan;Wang, Liang;Chen, Guohua. And the article was included in Nano Energy in 2021.Product Details of 75-57-0 The following contents are mentioned in the article:

Ethylene evolution reaction (EER) by electrochem. dechlorination of 1,2-dichloroethane is a promising and an economical strategy. The process is however severely impeded by the poor reactivity of catalysts, the accumulation of HCl in the electrolyte as well as low value-added byproducts at anode. Herein, a bifunctional ultrathin Fe-N_x-C single-atom catalysts (SACs) has been successfully prepared and investigated as both cathode and anode material for EER and aromatic chlorination reaction (ACR), resp. The generated HCl was recycled as a chlorinating reagent. The Fe-N_x-C SACs exhibited an excellent electrocatalytic performance simultaneously for both EER and ACR with high ethylene and para-chloroanisole selectivity obtained. The first-principles calculations indicated that Fe-N₄ was the dominating catalytic active site for the generation of ethylene as well as para-chloroanisole. The coupling strategy of ACR at anode not only can accelerate the reaction rate of EER, but also provide a highly-efficient and atom-economical approach for the production of valuable ethylene and aromatic chlorides. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Product Details of 75-57-0).

Tetramethylammonium chloride (cas: 75-57-0) 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. 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 75-57-0

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

Design, synthesis and antifungal activities of novel pyrrole- and pyrazole-substituted coumarin derivatives was written by Zhang, Shu-Guang;Liang, Chao-Gen;Sun, Yue-Qing;Teng, Peng;Wang, Jia-Qun;Zhang, Wei-Hua. And the article was included in Molecular Diversity in 2019.Application of 638-07-3 The following contents are mentioned in the article:

A series of novel pyrrole- and pyrazole-substituted coumarins, compounds I [R¹ = H, Me, F, etc.; R² = Me, CH₂Cl, CF₃, R³ = H, Me, etc.] and II [R⁴ = H, Me, Et, etc.; R⁵ = H, Me, etc.] and evaluated their antifungal activity against six phytopathogenic fungi in-vitro. The primary assay results demonstrated that some designed compounds displayed potent activities. Among them, compounds I [R¹ = H, R² = CH₂Cl, R³ = Me] and II [R⁴ = H, Me, Et, R⁵ = Me; R⁴ = H’ R⁵ = CF₃ R⁴R⁵ = (CH₂)₄]exhibited more effective control than Osthole against Cucumber anthrax and Alternaria leaf spot. Furthermore, compound I [R¹ = H, R² = CH₂Cl, R³ = Me] displayed stronger antifungal activity against Rhizoctorzia solani (EC₅₀ = 15.4 μg/mL) than pos. control Osthole (EC₅₀ = 67.2 μg/mL). This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Application of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Application of 638-07-3

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

Coupling reaction of enol derivatives with silyl ketene acetals catalyzed by gallium trihalides was written by Nishimoto, Yoshihiro;Kita, Yuji;Ueda, Hiroki;Imaoka, Hiroto;Chiba, Kouji;Yasuda, Makoto;Baba, Akio. And the article was included in Chemistry – A European Journal in 2016.Computed Properties of C6H12BrCl The following contents are mentioned in the article:

A cross-coupling reaction between enol derivatives and silyl ketene acetals catalyzed by GaBr₃ took place to give the corresponding α-alkenyl esters. GaBr₃ showed the most effective catalytic ability, whereas other metal salts such as BF₃·OEt₂, AlCl₃, PdCl₂, and lanthanide triflates were not effective. Various types of enol ethers and vinyl carboxylates as enol derivatives are amenable to this coupling. The scope of the reaction with silyl ketene acetals was also broad. We successfully observed an alkylgallium intermediate by using NMR spectroscopy, suggesting a mechanism involving anti-carbogallation among GaBr₃, an enol derivative, and a silyl ketene acetal, followed by syn-β-alkoxy elimination from the alkylgallium. Based on kinetic studies, the turnover-limiting step of the reaction using a vinyl ether and a vinyl carboxylate involved syn-β-alkoxy elimination and anti-carbogallation, resp. Therefore, the leaving group had a significant effect on the progress of the reaction. Theor. calculations anal. suggest that the moderate Lewis acidity of gallium would contribute to a flexible conformational change of the alkylgallium intermediate and to the cleavage of the carbon-oxygen bond in the β-alkoxy elimination process, which is the turnover-limiting step in the reaction between a vinyl ether and a silyl ketene acetal. This study involved multiple reactions and reactants, such as 1-Bromo-6-chlorohexane (cas: 6294-17-3Computed Properties of C6H12BrCl).

1-Bromo-6-chlorohexane (cas: 6294-17-3) 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. 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 C6H12BrCl

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

Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 1. Database Development and Analysis was written by Williams, Tova N.;Kuenemann, Melaine A.;Van Den Driessche, George A.;Williams, Antony J.;Fourches, Denis;Freeman, Harold S.. And the article was included in ACS Sustainable Chemistry & Engineering in 2018.SDS of cas: 95-88-5 The following contents are mentioned in the article:

Herein, we report on the initial step of the design process of new hair dyes with the desired properties. The first step is dedicated to the development of the largest, publicly available database of hair dye substances (containing temporary and semipermanent hair dyes as well as permanent hair dye precursors) used in com. hair dye formulations. The database was utilized to perform a cheminformatics study assessing the computed physicochem. properties of the different hair dye substances, especially within each cluster of structurally similar dyes. The various substances could be differentiated based on their average mol. weight, hydrophobicity, topol. polar surface area, and number of hydrogen bond acceptors, with some overlap also observed In particular, we found that dyes such as C.I. Basic Orange 1 and 2 were clustered among the precursors, suggesting that their diffusion behavior is similar to that of permanent hair dye precursors. We anticipate taking advantage of this interesting knowledge in the second design phase of our investigation. As a step in that direction, we used QSAR models and noted that 65% of the substances were predicted to be mutagenic (22 with confidence thresholds >90%), whereas 79% were predicted to be skin sensitizers (37 with confidence thresholds >90%). We discuss the relevance of these preliminary calculations in view of literature-extracted exptl. data. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5SDS of cas: 95-88-5).

4-Chlororesorcinol (cas: 95-88-5) 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.SDS of cas: 95-88-5

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

The Influence of Ionic Liquids Adsorption on the Electronic and Optical Properties of Phosphorene and Arsenene with Different Phases: A Computational Study was written by Zhu, Lin;Fu, Aiping. And the article was included in Molecules in 2022.Application of 75-57-0 The following contents are mentioned in the article:

D. functional theory (DFT) calculations have been performed to investigate the interfacial interactions of ionic liquids (ILs) on the α- and β-phases of phosphorene (P) and arsenene (As). Nine representative ILs based on the combinations of 1-ethyl-3-methylimidazolium ([EMIM]⁺), N-methylpyridinium ([MPI]⁺), and trimethylamine ([TMA]⁺) cations paired to tetrafluoroborate ([BF4]^–), trifluoromethanesulfonate ([TFO]^–), and chloridion (Cl^–) anions were used as adsorbates on the 2D P and As nanosheets with different phases to explore the effect of IL adsorption on the electronic and optical properties of 2D materials. The calculated structure, adsorption energy, and charge transfer suggest that the interaction between ILs and P and As nanosheets is dominated by noncovalent forces, and the most stable adsorption structures are characterized by the simultaneous interaction of the cation and anion with the surface, irresp. of the types of ILs and surfaces. Furthermore, the IL adsorption leads to the larger change in the electronic properties of β-phase P and As than those of their α-phase counterparts, which demonstrates that the adsorption properties are not only related to the chem. elements, but also closely related to the phase structures. The present results provide insight into the further applications of ILs and phosphorene (arsenene) hybrid materials. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Application of 75-57-0).

Tetramethylammonium chloride (cas: 75-57-0) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Application of 75-57-0

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

Design and synthesis of α-naphthoflavone chimera derivatives able to eliminate cytochrome P450 (CYP)1B1-mediated drug resistance via targeted CYP1B1 degradation was written by Zhou, Li;Chen, Wenming;Cao, Chenyang;Shi, Yonghui;Ye, Wenchong;Hu, Jiliang;Wang, Ling Li;Zhou, Wen. And the article was included in European Journal of Medicinal Chemistry in 2020.Recommanded Product: 6294-17-3 The following contents are mentioned in the article:

Extrahepatic cytochrome P 450 1B1 (CYP1B1), which is highly expressed in various tumors, is an attractive and potential target for cancer prevention, therapy, and reversal of drug resistance. CYP1B1 inhibition is the current predominant therapeutic paradigm to treating CYP1B1-mediated malignancy, but therapeutic effect has little success. Herein, we reported CYP1B1 degradation in place of CYP1B1 inhibition for reversing drug resistance toward docetaxel in CYP1B1-overexpressing prostate cancer cell line DU145 using a PROTAC strategy. Replacing chlorine atom of a CYP1B1 selective inhibitor we found previously with ethynyl, we got the resulting α-naphthoflavone derivative 5 which kept strong inhibition against CYP1B1 (IC₅₀ = 0.4±0.2 nM) and high selectivity. Coupling of 5 with thalidomide derivatives of varying chain lengths afforded conjugates 6A-6D via click reaction. In vitro cell-based assay indicated that 6C was more effective in eliminating drug resistance of CYP1B1-overexpressed DU145 cells compared with other analogs. Western blotting anal. showed CYP1B1 degradation was one main reason for the reversal of drug resistance to docetaxel and the effect was obtained in a concentration-dependent manner. This work is the first attempt to overcome CYP1B1-mediated drug resistance via CYP1B1 degradation instead of CYP1B1 inhibition, which could provide a new direction toward eliminating drug resistance. This study involved multiple reactions and reactants, such as 1-Bromo-6-chlorohexane (cas: 6294-17-3Recommanded Product: 6294-17-3).

1-Bromo-6-chlorohexane (cas: 6294-17-3) 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.Recommanded Product: 6294-17-3

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

Alcoholic solvent effect on the anion-dependent luminescence of Eu(III) complex in the presence of tetramethylammonium cation was written by Li, Ziying;Nakamura, Kazuki;Kobayashi, Norihisa. And the article was included in Nippon Gazo Gakkaishi in 2022.Related Products of 75-57-0 The following contents are mentioned in the article:

We have reported drastic enhancement of photoluminescence of chiral Eu(III) complex (Eu(D-facam)₃) in 1-butanol by cooperating effect of tetramethylammonium cation with specific counter anions of chloride and acetate. In this study, based on such unusual luminescence improvement, solvent effect of this luminescence enhancement was further investigated by comparing a series of primary alcs. with straight alkyl chains (carbon number, n : 1~6) including methanol, ethanol, 1-propanol, 1-butanol, 1-pentanol and 1-hexanol. In the case of both anions, notable alc. solvent effect on luminescence properties of Eu(D-facam)₃ were observed upon coexistence with tetramethylammonium citation. Interestingly, in 1-pentanol, Eu(D-facam)₃ achieved a superior luminescence enhancement above 500 times and induced circular polarized luminescence (g_lum = -0.69) by the interaction with tetramethylammonium acetate. On the contrary, the luminescence of Eu(D-facam)₃ decreased by addition of tetramethylammonium acetate the in the methanol. The unusual optical behavior would be attributed to structural change of Eu(D-facam)₃ induced by the interaction of tetramethylammonium and specific anions in alc. solution The strength of their interactions would be affected by polarity of the alc. solvents, leading to huge dependence of the luminescence intensity on the alc. species. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Related Products of 75-57-0).

Tetramethylammonium chloride (cas: 75-57-0) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Related Products of 75-57-0

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

The role of ionic vs. non-ionic excipients in APIs-based eutectic systems was written by Martins, Monia A. R.;Silva, Liliana P.;Jorge, Patricia S.;Abranches, Dinis O.;Pinho, Simao P.;Coutinho, Joao A. P.. And the article was included in European Journal of Pharmaceutical Sciences in 2021.Computed Properties of C4H12ClN The following contents are mentioned in the article:

Aiming to contribute to drug pre-formulation, new eutectic mixtures were developed. Thymol, coumarin, or quaternary ammonium chlorides as excipients, were combined with the active pharmaceutical ingredients (APIs) acetylsalicylic acid, acetaminophen, ibuprofen, ketoprofen, or lidocaine. Their solid-liquid equilibrium (SLE) binary phase diagrams were measured to study eventual phase separation between the compounds, preventing manufacturing problems, and to study the mol. interactions between the APIs and ionic or non-ionic excipients. The Conductor-like Screening Model for Real Solvents (COSMO-RS) capability to predict the SLE of mixtures containing non-ionic excipients was further evaluated. COSMO-RS gives a good quant. description of the exptl. SLE being a tool with great potential in the screening of eutectic systems containing APIs and non-ionic excipients. While thymol presents strong interactions with the APIs, and consequently neg. deviations to thermodn. ideality, systems containing coumarin follow a quasi-ideal behavior. Regarding the ionic excipients, both choline chloride and the tetraalkylammonium chlorides are unable to establish relevant interactions with the APIs, and no significant neg. deviations to ideality are observed The liquefaction of the APIs here studied is favored by using non-ionic excipients, such as thymol, due to the strong interactions it can establish with the APIs. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Computed Properties of C4H12ClN).

Tetramethylammonium chloride (cas: 75-57-0) 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 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.Computed Properties of C4H12ClN

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

Far-Red and Near-Infrared Boron Schiff Bases (BOSCHIBAs) Dyes Bearing Anionic Boron Clusters was written by Corona-Lopez, Maria M.;Munoz-Flores, Blanca M.;Chaari, Mahdi;Nunez, Rosario;Jimenez-Perez, Victor M.. And the article was included in European Journal of Inorganic Chemistry in 2021.Reference of 75-57-0 The following contents are mentioned in the article:

Here, we report a short series of six new boron Schiff bases (BOSCHIBAs), four of them bearing anionic boron clusters. The boron complexes (1–2) were synthesized by the multicomponent reaction. The Boron Schiff bases were appropriately functionalized with boron cluster anions [B₁₂H₁₂]^2- (3–4) and [3,3′-Co(C₂B₉H₁₁)₂]^– (5–6). Remarkably, BOSCHIBAs bearing [B₁₂H₁₂]^2- showed fluorescence emission to the NIR and far-red regions (3: 747 nm, 4: 690 nm), while 5 and 6 exhibited emission in the UV region (5: 525 and 6: 475 nm). Notably, complexes 2, 5, and 6 showed the highest photostability, followed by the boron complexes 1 and 3, which suggest that the nature of the boron cluster influences photostability properties. Compounds 3–4 represent the first example of boron Schiff bases bearing boron cluster anions [B₁₂H₁₂]^2- exhibiting fluorescence emission in the NIR and far-red regions, make them potential candidates as fluorescence probes for bioimaging. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Reference of 75-57-0).

Tetramethylammonium chloride (cas: 75-57-0) 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. 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.Reference of 75-57-0

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