Tag: 100-200

Fe₃O₄@C@OSO₃H as an efficient, recyclable magnetic nanocatalyst in Pechmann condensation: green synthesis, characterization, and theoretical study was written by Samiei, Zahra;Soleimani-Amiri, Somayeh;Azizi, Zahra. And the article was included in Molecular Diversity in 2021.Application In Synthesis of Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

Novel sulfonated carbon-coated magnetic nanoparticles (SCCMNPs; Fe₃O₄@C@OSO₃H) were designed, synthesized, characterized, and applied as an efficient nanocatalyst for green synthesis of coumarin derivatives through Pechmann condensation. The Fe₃O₄@C@OSO₃H was manufactured through a simple and inexpensive two-step procedure and characterized by FTIR, EDX, XRD, SEM, TEM, DLS, VSM, and TGA techniques. It was identified as an efficient heterogeneous catalyst in the Pechmann condensation of phenol derivatives and β-ketoesters, leading to high-yield coumarin derivatives under solvent-free conditions. The Fe₃O₄@C@OSO₃H removed after reaction finishing point by an external magnet, and it was reused fifteen times at the same conditions. Besides, theor. studies were carried out using B3LYP/6-311++G(d,p) to more consideration of the reaction mechanism. The study of the frontier MOs, NBO at. charges, mol. electrostatic potential of reactants, as well as Pechmann condensation mechanism was known very useful in suitable reactant choice. The reaction was performed through the electrophilic attack, dehydration, and trans-esterification, resp. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Application In Synthesis of Ethyl 4-chloro-3-oxobutanoate).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. 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.Application In Synthesis of Ethyl 4-chloro-3-oxobutanoate

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

A Strained Ion Pair Permits Carbon Dioxide Fixation at Atmospheric Pressure by C-H H-Bonding Organocatalysis was written by Xu, Jiaxi;Xian, Anmei;Li, Zhenjiang;Liu, Jingjing;Zhang, Zhihao;Yan, Rui;Gao, Luoyu;Liu, Bo;Zhao, Lili;Guo, Kai. And the article was included in Journal of Organic Chemistry in 2021.Synthetic Route of C4H12ClN The following contents are mentioned in the article:

The cycloadditions of carbon dioxide into epoxides to afford cyclic carbonates by H-bond donor (HBD) and onium halide (X) cocatalysis have emerged as a key strategy for CO₂ fixation. However, if the HBD is also a halide receptor, the two will quench each other, decreasing the catalytic activity. Here, we propose a strained ion pair tris(alkylamino)cyclopropenium halide (TAC·X), in which TAC repels X. TAC possesses a pos. charged cyclopropenium core that makes the vicinal C-H or N-H a nonclassical HBD. The interionic strain within TAC·X makes TAC a more electrophilic HBD, allowing it to activate the oxygen of the epoxide and making X more nucleophilic and better able to attack the methylene carbon of the epoxide. NMR titration spectra and computational studies were employed to probe the mechanism of the cycloaddition of CO₂ to epoxides reactions under the catalysis of TAC·X. The ¹H and ¹³C{¹H}NMR titration spectra of the catalyst with the epoxide substrate unambiguously confirmed H-bonding between TAC and the epoxide. DFT computational studies identified the transition states in the ring-opening of the epoxide (TS1) and in the ring-closure of the cyclic carbonate (TS2). This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Synthetic Route 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Synthetic Route of C4H12ClN

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

Efficient Asymmetric Synthesis of Ethyl (S)-4-Chloro-3-hydroxybutyrate Using Alcohol Dehydrogenase SmADH31 with High Tolerance of Substrate and Product in a Monophasic Aqueous System was written by Yang, Zeyu;Ye, Wenjie;Xie, Youyu;Liu, Qinghai;Chen, Rong;Wang, Hualei;Wei, Dongzhi. And the article was included in Organic Process Research & Development in 2020.Application of 638-07-3 The following contents are mentioned in the article:

Bioredns. catalyzed by alc. dehydrogenases (ADHs) play an important role in the synthesis of chiral alcs. However, the synthesis of Et (S)-4-chloro-3-hydroxybutyrate [(S)-CHBE], an important drug intermediate, has significant challenges concerning high substrate or product inhibition toward ADHs, which complicates its production Herein, we evaluated a novel ADH, SmADH31, obtained from the Stenotrophomonas maltophilia genome, which can tolerate extremely high concentrations (6 M) of both substrate and product. The coexpression of SmADH31 and glucose dehydrogenase from Bacillus subtilis in Escherichia coli meant that as much as 660 g L^-1 (4.0 M) Et 4-chloroacetoacetate was completely converted into (S)-CHBE in a monophasic aqueous system with a >99.9% ee value and a high space-time yield (2664 g L^-1 d^-1). Mol. dynamics simulation shed light on the high activity and stereoselectivity of SmADH31. Moreover, five other optically pure chiral alcs. were synthesized at high concentrations (100-462 g L^-1) as a result of the broad substrate spectrum of SmADH31. All these compounds act as important drug intermediates, demonstrating the industrial potential of SmADH31-mediated bioredns. 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Application of 638-07-3

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

Novel chalcone-conjugated, multi-flexible end-group coumarin thiazole hybrids as potential antibacterial repressors against methicillin-resistant Staphylococcus aureus was written by Hu, Yuanyuan;Hu, Chunfang;Pan, Guangxing;Yu, Congwei;Ansari, Mohammad Fawad;Yadav Bheemanaboina, Rammohan R.;Cheng, Yu;Zhou, Chenghe;Zhang, Jiaheng. And the article was included in European Journal of Medicinal Chemistry in 2021.Application In Synthesis of Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

The increasing resistance of methicillin-resistant Staphylococcus aureus (MRSA) to antibiotics has led to a growing effort to design and synthesize novel structural candidates of chalcone-conjugated, multi-flexible end-group coumarin thiazole hybrids with outstanding bacteriostatic potential. Bioactivity screening showed that hybrid 5i, which was modified with methoxybenzene, exerted a significant inhibitory activity against MRSA (MIC = 0.004 mM), which was 6 times better than the anti-MRSA activity of the reference drug norfloxacin (MIC = 0.025 mM). Compound 5i neither conferred apparent resistance onto MRSA strains even after multiple passages nor triggered evident toxicity to human hepatocyte LO2 cells and normal mammalian cells (RAW 264.7). Mol. docking showed that highly active mol. 5i might bind to DNA gyrase by forming stable hydrogen bonds. In addition, mol. electrostatic potential surfaces were developed to explain the high antibacterial activity of the target compounds Furthermore, preliminary mechanism studies suggested that hybrid 5i could disrupt the bacterial membrane of MRSA and insert itself into MRSA DNA to impede its replication, thus possibly becoming a potential antibacterial repressor against MRSA. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Application In Synthesis of Ethyl 4-chloro-3-oxobutanoate).

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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Application In Synthesis of Ethyl 4-chloro-3-oxobutanoate

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

Synthesis of ethyl (R)-4-chloro-3-hydroxybutyrate by immobilized cells using amino acid-modified magnetic nanoparticles was written by Lu, Yuan;Dai, Hongqian;Shi, Hanbing;Tang, Lan;Sun, Xingyuan;Ou, Zhimin. And the article was included in Process Biochemistry (Oxford, United Kingdom) in 2020.Formula: C6H9ClO3 The following contents are mentioned in the article:

Fe₃O₄-Arg was selected as the optimal carrier due to its high activity recovery of immobilized cells in the preparation of Fe₃O₄-Arg-Cells. The optimal immobilization conditions for the preparation of Fe₃O₄-Arg-Cells were 30°C, 4 h, pH 7, and 3 g dry yeast. The activity recovery of immobilized cells reached 76.8%. For a batch reduction in a shaker in an alternating magnetic field, Fe₃O₄-Arg-Cells were used as a catalyst to gain Et (R)-4-chloro-3-hydroxybutyrate ((R)-CHBE). For further improvement in reduction productivity, a continuous reduction in the magnetic fluidized bed reactor system (MFBRS) was completed. Under their optimal transformation conditions, it took 24 h for Fe₃O₄-Arg-Cells to complete the conversion of Et 4-chloro-3-oxobutanoate (COBE) (0.8553 mol/L) in the shaker and only 8 h for the batch reduction in an alternating magnetic field. Continuous reduction in MFBRS provided new ideas for the efficient production of (R)-CHBE; 1.5882 mol/L (10 mL) of COBE can be completely converted in 6 h. The conversion and enantiomeric excess (e.e.) of (R)-CHBE were 100% and above 99.9% resp., in the three reaction systems mentioned above. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Formula: C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) 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.Formula: C6H9ClO3

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

Bent-core liquid crystal-functionalised flexible polymer substrates for liquid crystal alignment was written by Sivaranjini, B.;Ganesh, V.;Umadevi, S.. And the article was included in Liquid Crystals in 2020.HPLC of Formula: 95-88-5 The following contents are mentioned in the article:

A transparent flexible polymer film is chem. functionalised with a bent-core liquid crystal (BCLC) compound for effective alignment of the bulk BCLC sample at the substrate-LC interface. The surface attachment was achieved via a simple procedure which involved pre-treatment of the polymer film (com. name: over head projector film) using piranha solution followed by chem. attaching the BCLC compound through silane condensation reaction. Surface characterization of the unmodified and BC-modified flexible films was carried out through XPS, attenuated total reflectance fourier transform IR (ATR-FTIR) spectroscopy, contact angle (CA) and at. force microscopy (AFM) techniques. The BC-modified flexible substrates are analyzed for their efficiency to orient the bulk LC sample. Remarkably, the chem. modified polymer substrates are highly efficient in vertically aligning both the BC and rod-like LC samples at the substrate-LC interface, in comparison to their unmodified counterparts. The described method is simple, reproducible, surface modified substrates are highly stable and more importantly reusable. The demonstrated method for the alignment of BCLCs advances a step forward towards the realization of applications proposed for these fascinating compounds This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5HPLC of Formula: 95-88-5).

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

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

Targeting dihydrofolate reductase: Design, synthesis and biological evaluation of novel 6-substituted pyrrolo[2,3-d]pyrimidines as nonclassical antifolates and as potential antitumor agents was written by Gao, Tianfeng;Zhang, Congying;Shi, Xiaowei;Guo, Ran;Zhang, Kai;Gu, Jianmin;Li, Lin;Li, Shuolei;Zheng, Qianqian;Cui, Mengyu;Cui, Miao;Gao, Xingmei;Liu, Yi;Wang, Lei. And the article was included in European Journal of Medicinal Chemistry in 2019.Related Products of 638-07-3 The following contents are mentioned in the article:

A novel series of 6-substituted pyrrolo[2,3-d]pyrimidines with reversed amide moieties from the lead compound I (R = 4-pyridyl) were designed and synthesized as nonclassical antifolates and as potential antitumor agents. Target compounds II were successfully obtained through two sequential condensation reactions from the key intermediate 2-amino-6-(2-aminoethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one. In preliminary antiproliferation assay, all compounds demonstrated submicromolar to nanomolar inhibitory effects against KB tumor cells, whereas compounds I (R = 2-, 3-, 4-pyridyl) also exhibited nanomolar antiproliferative activities toward SW620 and A549 cells. In particular, compounds I (R = 2-, 3-, 4-pyridyl) were significantly more potent than the pos. control methotrexate (MTX) and pemetrexed (PMX) to A549 cells. The growth inhibition induced cell cycle arrest at G1-phase with S-phase suppression. Along with the results of nucleoside protection assays, inhibition assays of dihydrofolate reductase (DHFR) clearly elucidated that the intracellular target of the designed compounds was DHFR. Mol. modeling studies suggested two binding modes of the target compounds with DHFR. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Related Products of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) 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 638-07-3

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

The fabrication of poly (polyethylene glycol diacrylate) monolithic porous layer open tubular (mono-PLOT) columns and applications in hydrophilic interaction chromatography and capillary gas chromatography for small molecules was written by Chang, Feng;Yue, Yunfang;Yang, Zihui;Huang, Si;Liu, Zhihua;Wang, Kunmiao;Peng, Yan;Chen, Yingzhuang;Ma, Ming;Chen, Bo. And the article was included in Electrophoresis in 2019.SDS of cas: 95-88-5 The following contents are mentioned in the article:

The easy shrinkage and swelling of polymer monolithic column when exposed to mobile phase with different polarity is a problem that cannot be ignored. To overcome this drawback, a convenient aqueous two-phase polymerization approach was used to prepare poly (polyethylene glycol diacrylate, PEGDA) monolithic porous layer open tubular (mono-PLOT) columns (150 μm). The poly(PEGDA) mono-PLOT column with homogeneous polymer porous layer was synthesized successfully. A maximum plate number of 41,500 plates per m for allyl thiourea was obtained under a velocity of 1.8 mm/s. Several kinds of polar mol. were separated on the proposed mono-PLOT column and a typical hydrophilic interaction retention mechanism was observed High speed separation of benzoic acids was also carried out, baseline separation of five benzoic acids was successfully achieved within 5 min with a 70 cm mono-PLOT column at 50°C. Furthermore, the resulting PLOT column was also successfully applied to sep. standard analytes of three DNA oxidative damage products and RNA-modified nucleosides and four chlorophenols. At last, the column could sep. alcs., alkanes, and aromatic isomers via GC. It had more than 20,000 plates per m for butanol – higher than com. coatings open tubular columns. 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. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. 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.SDS of cas: 95-88-5

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

Searching for New Cures for Tuberculosis: Design, Synthesis, and Biological Evaluation of 2-Methylbenzothiazoles was written by Huang, Qingqing;Mao, Jialin;Wan, Baojie;Wang, Yuehong;Brun, Reto;Franzblau, Scott G.;Kozikowski, Alan P.. And the article was included in Journal of Medicinal Chemistry in 2009.Category: chlorides-buliding-blocks The following contents are mentioned in the article:

The actual development and clin. use of new therapeutics for tuberculosis have remained stagnant for years because of the complexity of the disease process, the treatment of which at present requires the administration of drug combinations over a 6 mo period. In this study, the chem. and biol. of a series of potent 5-(2-methylbenzothiazol-5-yloxymethyl)isoxazole-3-carboxamides, e.g. I [R = Me₂N, 1-piperidinyl, (S)-MeO₂CCH(Ph)NH, etc.] , which proved to be active against replicating Mycobacterium tuberculosis (Mtb) H₃₇Rv, are reported. The most potent compounds I [R = (S)- or (R)-MeO₂CCH(Ph)NH] were found to inhibit Mtb growth at micromolar concentrations, with MIC values of 1.4 and 1.9 μM, resp. Impressively, all active compounds were nontoxic toward Vero cells (IC₅₀ > 128 μM). Moreover, the best of these compounds were also tested against protozoan parasites, and some of these compounds were found to show activity, especially against Plasmodium falciparum. These studies thus suggest that certain 2-methylbenzothiazole based compounds may serve as promising lead scaffolds for further elaboration as antitubercular drugs and as possible antimalaria drugs. This study involved multiple reactions and reactants, such as (S)-Methyl 2-amino-2-(2-chlorophenyl)acetate (cas: 141109-14-0Category: chlorides-buliding-blocks).

(S)-Methyl 2-amino-2-(2-chlorophenyl)acetate (cas: 141109-14-0) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Category: chlorides-buliding-blocks

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

Colorimetric analysis of palladium using thiocarbamate hydrolysis and its application for detecting residual palladium in drugs was written by Choi, Myung Gil;Seo, Ju-Yeon;Cho, Eun Jin;Chang, Suk-Kyu. And the article was included in Journal of Photochemistry and Photobiology, A: Chemistry in 2022.Quality Control of 4-Chlororesorcinol The following contents are mentioned in the article:

In this research, we report a practical colorimetric method for the convenient anal. of residual palladium ions in drugs and drug intermediates. In a phosphate-buffered (pH 7.0) 50% aqueous DMSO solution, chlororhodol-based probe PP-1 demonstrated a prominent colorimetric (A_PP-1+Pd(II)/A_PP-1 at 531 nm is over 780) and turn-on type fluorescence signaling behavior (I_PP-1+Pd(II)/I_PP-1 at 561 nm is over 2000) toward palladium. The signaling was realized through the palladium-assisted hydrolysis of the thiocarbamate protecting moiety of the probe. Palladium-selective signaling was feasible in the presence of possibly interfering chem. species, and it was concluded within 7 min. The selective signaling was observed for palladium species with different oxidation states (Pd²⁺, Pd⁴⁺, and Pd⁰). The detection limit of the probe for palladium anal. was sufficiently sensitive to analyze the residual palladium in drugs and related products (LOD_PP-1 = 1.0 x 10^-8 M, LOD_PP-2 = 4.3 x 10^-8 M). In particular, palladium anal. could be performed in the presence of ibuprofen and 2-cyano-4â€?methylbiphenyl, as the drug and drug intermediate, resp. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Quality Control of 4-Chlororesorcinol).

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

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