Tag: 100-200

An, Xiaoying; Gao, Lei; Wang, Mingliang; Wu, Haitao; Wang, Lanzhi published an article in 2021. The article was titled 《One-pot synthesis of 1,5-benzodiazepine-2,3-dicarboxylates via three-component domino reactions in the presence of γ-Fe2O3@SiO2/Ce(OTf)3》, and you may find the article in Chemistry of Heterocyclic Compounds (New York, NY, United States).Product Details of 4949-44-4 The information in the text is summarized as follows:

Novel, efficient and environmentally friendly approaches was developed for the synthesis of 1,5-benzodiazepine-2,3-dicarboxylates I [R1 = H, Me, Cl, Br; R2 = Me, Et, Ph; R3 = Me, Et, Pr] and II by one-pot three-component domino reactions in the presence of a catalytic amount of γ-Fe2O3@SiO2/Ce(OTf)3 in EtOH at ambient temperature A total of synthesized 2,5-dihydro-1H-1,5-benzodiazepine-2,3-dicarboxylates I and 2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-2,3-dicarboxylates II with enamine or imine structure of the heterocycle, resp., were obtained in good yields by reacting substituted 1,2-phenylenediamine, β-carbonyl esters and Et glyoxylate or Et pyruvate. One-pot reactions were successfully realized to form one new cycle and four new bonds (one C-C, two C-N, one C=C or two C-C, one C-N, one C=N). The salient features of this reaction included short reaction time, mild reaction conditions, moderate to excellent yields, recyclability of the catalyst, and wide substrate scope.Ethyl 3-oxopentanoate(cas: 4949-44-4Product Details of 4949-44-4) was used in this study.

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Product Details of 4949-44-4

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In 2016,Xiang, Jinbao; Zhu, Tong; Dang, Qun; Bai, Xu published 《Electronic Effects on the cis/trans Selectivity in Formation of Isoxazolidine-Fused Eight-Membered Ring via an Intramolecular Nitrone-Alkene Cycloaddition》.Chemistry of Heterocyclic Compounds (New York, NY, United States) published the findings.Synthetic Route of C8H6FNO4 The information in the text is summarized as follows:

An intramol. nitrone-alkene cycloaddition involving in situ generated nitrones demonstrated reaction profiles different from those previously reported for pyrimidine system. Tuning the electron d. of the benzene ring had a significant effect on cis/trans selectivity. These reactions were useful for the synthesis of novel tricyclic hexahydrobenzo[b]isoxazolo[3,4-f][1,4]diazocin-4(1H)-ones and hexahydroisoxazolo[3,4-f]pyrido[3,2-b][1,4]diazocin-4(1H)-one under mild reaction conditions in good yields. After reading the article, we found that the author used Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Synthetic Route of C8H6FNO4)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Synthetic Route of C8H6FNO4

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Ester – Wikipedia,
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《Chitosan-based films containing nanoemulsions of methyl salicylate: Formulation development, physical-chemical and in vitro drug release characterization》 was written by Silva, Talita Nascimento da; Reynaud, Franceline; Picciani, Paulo Henrique de Souza; de Holanda e Silva, Kattya Gyselle; Barradas, Thais Nogueira. Name: Methyl Salicylate And the article was included in International Journal of Biological Macromolecules in 2020. The article conveys some information:

Transdermal patches for analgesic purposes are widely used, however, their occlusive characteristics can often cause allergic reactions, irritating contact dermatitis, and allergic contact dermatitis upon extended use. Chitosan is a natural pos. charged bioadhesive polysaccharide with several biol. properties, being promising templates for sustained and controlled topical or transdermal drug delivery. Me salicylate (MS) is a non-steroidal topical anti-inflammatory drug (NSAID). MS is a lipophilic oily drug commonly found in transdermal patches, being difficult to incorporate into hydrophilic formulations such as Chitosan-based films. Thus, MS is a good candidate to be encapsulated into nanoemulsions (NE). This work reports the formulation development, phys.-chem. characterization, and in vitro drug release of NE-loaded Chitosan films formulated with MS, as a novel substitute for transdermal analgesic patches. MS was encapsulated into NE, which were prepared by ultrasonication and presented 29.3 nm ± 0.1 and PdI 0.167 ± 0.005. The incorporation of MS into NE prevented phase separation and provided a homogeneous phys. blending formulation, as confirmed by FTIR, TGA. NE-loaded films provided high drug incorporation in the films 94.08% ± 6.63%, and a smaller crystallinity degree in comparison with phys. mixture films, suggesting a plasticizing effect of nano-sized droplets. Besides, mean weight, thickness, and moisture content were increased in NE-loaded films in comparison with chitosan-based control films. In vitro drug release from NE-loaded films was significantly higher than for phys. mixture films, following Weibull and Korsmeyer-Peppas release kinetics models. The results suggest that NE-loaded chitosan film can increase the drug loading capacity of oil drugs and successfully control in vitro release, constituting a novel approach for transdermal drug delivery of NSAIDs. In the experiment, the researchers used Methyl Salicylate(cas: 119-36-8Name: Methyl Salicylate)

Methyl Salicylate(cas: 119-36-8) is a natural herbivore-induced plant volatile. It is a naturally occurring product in trees, legumes, exotic plants, vegetables, berries, and the primary constituent of the oil of wintergreen.Methyl Salicylate is produced from salicylic acid.Name: Methyl Salicylate

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2020,Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry included an article by Yadav, Kalpana; Dhadda, Surbhi; Guleria, Anjali; Goswami, Prakash Giri; Khandelwal, Chandralata; Jangid, Dinesh Kumar. Application In Synthesis of Methyl 3-oxovalerate. The article was titled 《Nano catalyzed Biginelli type reaction in green reaction media》. The information in the text is summarized as follows:

Green chem. approach has been developed by using ionic liquid [MIM-H]CCl3 (1-methyl-3-hydro-1H-imidazol-3-ium trichloromethanide) and TiO2 nanoparticles (NPs) for the synthesis of 3,4-dihydropyrimidine-2(1H)-one (DHPMs) derivatives I (R1 = Me, Et, n-Pr; R2 = Me, Et, i-Pr, CH2CH2OMe; Ar = Ph, CH:CHC6H5, 5-Me-2-furyl). In the part of experimental materials, we found many familiar compounds, such as Methyl 3-oxovalerate(cas: 30414-53-0Application In Synthesis of Methyl 3-oxovalerate)

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. Ketone compounds have important physiological properties. They are found in several sugars and in compounds for medicinal use, including natural and synthetic steroid hormones. Molecules of the anti-inflammatory agent cortisone contain three ketone groups.Application In Synthesis of Methyl 3-oxovalerate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2016,Patra, Gopal C.; Pal, Sutanuka; Bhunia, Sankar C.; Hazra, Nirmal K.; Pal, Sudhir C. published 《A multi-component synthesis of functionalized O,S-dialkyldithiocarbonates》.Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published the findings.Computed Properties of C4H8O3 The information in the text is summarized as follows:

A multi-component synthesis of dithiocarbamates (xanthates) in a single pot was accomplished under very mild conditions. The S-alkyl part in the products contained functional groups. An alc. and an activated vinyl compound was capable of acting as Michael acceptor were mixed together in carbon disulfide in the presence of a tertiary amine at room temperature The method was successful with primary and secondary alcs. in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) as catalyst. The yields were excellent. The Morita-Baylis-Hillman reaction derived allylic alcs. however behaved a little differently, and the method was utilized to prepare trisubstituted alkenes possessing thioether moiety and some biol. important thiochromenes. The experimental process involved the reaction of Methyl 3-hydroxypropanoate(cas: 6149-41-3Computed Properties of C4H8O3)

Methyl 3-hydroxypropanoate(cas: 6149-41-3) belongs to esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Computed Properties of C4H8O3

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Prediction of agonist, partial agonist and full antagonist of H. pylori TlpB utilizing molecular docking》 was written by Kumar, Mohit; Nandi, Sisir. Recommanded Product: 16982-21-1 And the article was included in Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry in 2020. The article conveys some information:

Helicobacter pylori infections are one of the major issues that produce gastric and duodenal ulcers due to chronic gastritis. Deforestation and global warming may cause ecol. imbalance followed by climatic change due to enhanced temperature This may contribute to abdominal discomfort and gastritis specifically in case of in taking a lot of non-vegetables, fast and junk foods, oily and spicy foods. H. pylori, which is asymptomatic for almost 80% of people’s gastrointestinal tract (G.I.T.), may be stimulated due to chronic gastritis. It has been associated with colorectal polyps and cancer, if not treated well. Therefore, attention has been paid to predict some urea compounds as H. pylori antagonists utilizing structure-based mol. docking. Earlier reports of such work do not exist. The results came from multiple reactions, including the reaction of Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Recommanded Product: 16982-21-1)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Nitrous acid converts secondary amines (aliphatic or aromatic) to N-nitroso compounds (nitrosamines): R2NH + HNO2 → R2N―NO. Some nitrosamines are potent cancer-inducing substances, and their possible formation is a serious consideration when nitrites, which are salts of nitrous acid, are present in foods or pharmaceutical preparations. Tertiary amines give rise to nitrosamines more slowly; an alkyl group is eliminated as an aldehyde or ketone, along with nitrous oxide, N2O.Recommanded Product: 16982-21-1

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The author of 《Optimisation and validation of a GC-MS/MS method for the analysis of methyl salicylate in hair and skin samples for use in human-volunteer decontamination studies》 were James, Thomas; Collins, Samuel; Amlot, Richard; Marczylo, Tim. And the article was published in Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences in 2019. Computed Properties of C8H8O3 The author mentioned the following in the article:

Me salicylate has a long history of use as a chem. warfare agent simulant for volatile lipophilic compounds such as sulfur mustard. An improved isotope dilution GC-MS/MS method was developed, optimized and validated for the anal. of Me salicylate in human skin and hair samples, for use in emergency decontamination volunteer studies. Following derivatization, quantification was measured on a triple quadrupole mass spectrometer, set to EI mode and conducting multiple reaction monitoring of target ions. The mass transitions were 209→179 and 213→161 for quantitation of Me salicylate and Me salicylate D4, resp. whereas qualifier ion transitions used to verify identity were 209→169 and 213→89. The method achieved excellent coefficient of determination (R2 >0.9968 to 0.9999) over the range of 0.5-5000 ng/mL and the LOD and LOQ were 0.05 ng/mL and 0.5 ng/mL. The method was further validated for accuracy (intra-day and inter-day average 100.28% to 102.03% and 99.48% to 102.33%, resp.) and precision (intra-day RSD 1.43% to 2.35%, inter-day RSD 1.91% to 2.97%) at three concentrations (25, 250 and 2500 ng/mL). The validated method was successfully used to identify Me salicylate in samples of human skin generated during volunteer studies of emergency decontamination systems and in hair of staff conducting these studies.Methyl Salicylate(cas: 119-36-8Computed Properties of C8H8O3) was used in this study.

Methyl Salicylate(cas: 119-36-8) is a natural herbivore-induced plant volatile. It is a naturally occurring product in trees, legumes, exotic plants, vegetables, berries, and the primary constituent of the oil of wintergreen.Methyl Salicylate is produced from salicylic acid.Computed Properties of C8H8O3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2022,Cardeynaels, Tom; Etherington, Marc K.; Paredis, Simon; Batsanov, Andrei S.; Deckers, Jasper; Stavrou, Kleitos; Vanderzande, Dirk; Monkman, Andrew P.; Champagne, Benoit; Maes, Wouter published an article in Journal of Materials Chemistry C: Materials for Optical and Electronic Devices. The title of the article was 《Dominant dimer emission provides colour stability for red thermally activated delayed fluorescence emitter》.Safety of tert-Butyl carbamate The author mentioned the following in the article:

Color purity and stability in multi-donor thermally activated delayed fluorescence (TADF) emitters has significant implications for com. organic light-emitting diode (OLED) design. The formation of emissive dimer states in the well-known 1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene (4CzIPN) chromophore at elevated dopant concentrations has recently been confirmed both exptl. and via theor. calculations, indicating that multi-donor emitters such as 4CzIPN might suffer from a lack of color stability due to the presence of multiple emissive states. This poses a serious issue for OLED manufacturers. In this work, dithieno[3,2-b:2′,3′-d]pyrrole (DTP) is applied as an alternative donor unit in a TADF emitter for the first time. In combination with isophthalonitrile (IPN), the 4CzIPN analog termed 4DTPIPN is obtained. The strong electron donating nature of the DTP moiety gives rise to a red shift of the emission with respect to that of 4CzIPN. We identify that 4DTPIPN has a very stable emission spectrum throughout all solid-state thin film concentrations and host materials. Rather interestingly, this color stability is obtained via the formation of dimer/aggregate species that are present even at 0.01 wt% concentration Unfortunately, the higher color stability is paired with a low photoluminescence quantum yield, making 4DTPIPN unviable for device applications. Nonetheless, this work shows the importance of dimer contributions, even at dilute doping concentrations This mol. and study provide important understanding of the aggregation behavior of small-mol. emitters necessary for the successful application of doped and, especially, non-doped OLED architectures. In the experiment, the researchers used tert-Butyl carbamate(cas: 4248-19-5Safety of tert-Butyl carbamate)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Safety of tert-Butyl carbamate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Product Details of 30414-53-0On September 30, 2021 ,《Highly diastereoselective four-component synthesis of polysubstituted 1,4,5,6-tetrahydropyridines》 was published in Chemistry of Heterocyclic Compounds (New York, NY, United States). The article was written by Vereshchagin, Anatoly N.; Iliyasov, Taygib M.; Karpenko, Kirill A.; Smirnov, Vladimir A.; Ushakov, Ivan E.; Elinson, Michail N.. The article contains the following contents:

A novel four-component diastereoselective synthesis of polysubstituted tetrahydropyridines (4SR,6RS)-I (R = H, 3-F, 4-Me, 4-Cl, etc.; R1 = Me, Et, Ph, 4-bromophenyl; R2 = Me, Et) is reported. The Michael addition – Mannich reaction – cyclization – dehydration cascade of benzylidenemalononitriles RC6H4CH=C(CN)2, esters of 3-oxocarboxylic acids R1C(O)CH2C(O)OR2, aromatic aldehydes RC6H4CHO, and ammonium acetate in methanol provides convenient access to 2-substituted alkyl (4SR,6RS)-4,6-diaryl-5,5-dicyano-1,4,5,6-tetrahydropyridine- 3-carboxylates (4SR,6RS)-I with two stereocenters in 66-92% yields. The formation of products was highly stereoselective, with only one diastereomer formed. Ammonium acetate plays dual role acting as a base and as a nitrogen source. The formation of single diastereomer was confirmed by singe crystal X-ray diffraction studies. The results came from multiple reactions, including the reaction of Methyl 3-oxovalerate(cas: 30414-53-0Product Details of 30414-53-0)

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. Ketone compounds have important physiological properties. They are found in several sugars and in compounds for medicinal use, including natural and synthetic steroid hormones. Molecules of the anti-inflammatory agent cortisone contain three ketone groups.Product Details of 30414-53-0

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Synthesis of some heptazine derivatives》 was written by Krukle-Berzina, Kristine; Berzins, Karlis; Shubin, Kirill. HPLC of Formula: 4248-19-5This research focused ontrichloroheptazine chlorobenzene tertiary butyl carbamate Friedel Craft benzylation amination; heptaazaphenylene triyl trianiline preparation. The article conveys some information:

New derivatives of heptazine were prepared from 2,5,8-trichloroheptazine by a Friedel-Crafts reaction and Pd-catalyzed amination. New triamino-substituted heptazine derivative represents a soluble carbon nitride monomeric unit suitable for the assembly of metal-organic and covalent-organic frameworks. Aromatic substituents in heptazine ring was displaced by an alkylamine in a pseudo-nucleophilic substitution reaction. In the experimental materials used by the author, we found tert-Butyl carbamate(cas: 4248-19-5HPLC of Formula: 4248-19-5)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime. Examples of direct uses of amines and their salts are as corrosion inhibitors in boilers and in lubricating oils (morpholine), as antioxidants for rubber and roofing asphalt (diarylamines), as stabilizers for cellulose nitrate explosives (diphenylamine), as protectants against damage from gamma radiation (diarylamines), as developers in photography (aromatic diamines), as flotation agents in mining, as anticling and waterproofing agents for textiles, as fabric softeners, in paper coating, and for solubilizing herbicides.HPLC of Formula: 4248-19-5

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics