Tag: 100-200

Name: 2,6-PyridinedimethanolIn 2019 ,《Unprecedented isolation of a dinuclear tin (II) complex stabilized by pyridine-2,6-dimethanol: structure, DFT and in vitro screening of cytotoxic properties》 appeared in Applied Organometallic Chemistry. The author of the article were I., Mantasha; Raza, Kausar Md.; Shahid, M.; Ansari, Azaj; Ahmad, Musheer; Khan, Ishaat M.. The article conveys some information:

The authors report a novel dinuclear Sn(II) complex, [Sn2(Hpdm)2(H2O)6]·2H2O 2Cl (1) (H2pdm (3) = pyridine-2,6-dimethanol), which was crystallized out and characterized by elemental anal., FTIR, 1H and 13C NMR, single crystal x-ray studies and D. Functional Theory (DFT) anal. X-ray structure of 1 confirmed it to be a dinuclear alkoxo-bridged Sn(II) species where each metal adopts a seven coordinate distorted pentagonal bipyramidal (pbp) geometry. This is the first heptacoordinated Sn(II) complex ever isolated apart from already reported stannylenes. Spin d. plots from DFT support the +2 oxidation state of each tin metal. Hirshfeld surface anal. reveals various H-bonding interactions in the mol. and mol. docking results along with DFT confirm higher binding affinity of the present complex towards DNA. Moreover, the complex exhibits promising anticancer activities against HeLa and A549 cancer cell lines. After reading the article, we found that the author used 2,6-Pyridinedimethanol(cas: 1195-59-1Name: 2,6-Pyridinedimethanol)

2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. The basicity and metallophilic high donor number of these π-deficient systems has long favored them as ligands in metal catalysis. The last decade saw pyridine assume a stronger role as functional group for directed C–H oxidation/activation.Name: 2,6-Pyridinedimethanol

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In 2022,Guo, Hongshuang; Priimagi, Arri; Zeng, Hao published an article in Advanced Functional Materials. The title of the article was 《Optically Controlled Latching and Launching in Soft Actuators》.Category: alcohols-buliding-blocks The author mentioned the following in the article:

Snapping is an abrupt reaction, in which mech. instability allows the structure to rapidly switch from one stabilized form to another. Snapping is attained through a sudden release of prestored elastic energy. It is perfected by natural species to enhance their preying, locomotion, and reproduction abilities. Recent developments in responsive materials research has allowed the realization of bioinspired snappers and rapidly moving soft robots triggered by external stimuli. However, it remains a grand challenge to reversibly and accurately control the snapping dynamics in terms of, e.g., onset timing and speed of motion. Here, a facile method to obtain light-fueled snapping-like launching with precise control over the elastic energy released and the onset timing is reported. The elastic energy is prestored in a light-responsive liquid crystal elastomer actuator, and the launching event is dictated by releasing the energy through a photothermally induced crystal-to-liquid transition of a liquid-crystalline adhesive latch. The method provides manual control over the amount of prestored energy, motion speed upon multiple launching events, and enables demonstrations such as jumping and catapult motions in soft robots and concerted motions of multiple launchers. The results provide a practical solution for controlled fast motions in soft small-scale robotics. The experimental process involved the reaction of 6-Aminohexan-1-ol(cas: 4048-33-3Category: alcohols-buliding-blocks)

6-Aminohexan-1-ol(cas: 4048-33-3) can undergo cyclization over copper supported on γ-alumina and magnesia to form hexahydro-1H-azepine. It may be used along with glutaric acid to generate poly(ester amide)s with excellent film- and fiber forming properties.Category: alcohols-buliding-blocks

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Kanth, Priyanka; Shankar Rao, D. S.; Krishna Prasad, S.; Singh, Bachcha published an article in 2022. The article was titled 《Investigation of mesomorphic, photophysical and gelation behavior in aroylhydrazone based liquid crystals: Observation of mesophase crossover phenomena》, and you may find the article in Journal of Molecular Liquids.SDS of cas: 26153-38-8 The information in the text is summarized as follows:

Five series of substituted aroylhydrazones having two alkoxy chains at 3- and 5- positions at amide end of the mol. have been synthesized; wherein each series differ from each other in terms of number and position of alkoxy chains at imine end. The compounds of first series with the single alkoxy chain at 4-position at imine end self-assembled into columnar hexagonal mesophase. The lower homologues of the series with alkoxy chains at 3- and 5- positions at imine end showed a transition from columnar hexagonal to columnar rectangular mesophase in cooling cycle while the higher homologues exhibited columnar hexagonal mesophase. The series with alkoxy chains at 3- and 4- positions exhibited columnar rectangular mesophase. All the homologues of series with alkoxy chains at 2-, 3- and 4- positions showed a transition from columnar rectangular to columnar oblique mesophase in cooling cycle. The series with alkoxy chains at 3-, 4- and 5- positions exhibited transition in columnar hexagonal mesophase. The mesophase crossover from one columnar mesophase to the other was found to be dependent on the chain length as well as on the temperature during the self-assembly process in these mols. The substitution pattern showed an influence on the photophys. properties. The number and position of alkoxy chains played a critical role in the formation of gel in these mols. These liquid crystalline gelators have application potential in organic optoelectronic functional materials and devices. In the experimental materials used by the author, we found 3,5-Dihydroxybenzaldehyde(cas: 26153-38-8SDS of cas: 26153-38-8)

3,5-Dihydroxybenzaldehyde(cas: 26153-38-8) is used as a building block in the synthesis of more complex structures. It is also used in the synthesis of terbutaline, which is an important bronchodilator.SDS of cas: 26153-38-8

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Kubo, Osamu; Takami, Kazuaki; Kamaura, Masahiro; Watanabe, Koji; Miyashita, Hirohisa; Abe, Shinichi; Matsuda, Kae; Tsujihata, Yoshiyuki; Odani, Tomoyuki; Iwasaki, Shinji; Kitazaki, Tomoyuki; Murata, Toshiki; Sato, Kenjiro published an article in 2021. The article was titled 《Discovery of a novel series of GPR119 agonists: Design, synthesis, and biological evaluation of N-(Piperidin-4-yl)-N-(trifluoromethyl)pyrimidin-4-amine derivatives》, and you may find the article in Bioorganic & Medicinal Chemistry.HPLC of Formula: 18621-18-6 The information in the text is summarized as follows:

The designs, syntheses, and biol. activities of a novel series of N-(piperidin-4-yl)-N-(trifluoromethyl)pyrimidin-4-amine derivatives I [R = Cl, 5-methylsulfonylindolin-1-yl, 4-methylsulfonylcyclohexoxy, etc.; R1 = cyano, tert-butoxycarbonyl, 3-(1-fluoro-1-methyl-ethyl)-1,2,4-oxadiazol-5-yl, etc.] and II [R2 = Cl, (1-tert-butoxycarbonyl-4-piperidyl)amino, (1-tert-butoxycarbonyl-4-piperidyl)-ethyl-amino, etc.] as GPR119 agonists, and to determine the distinctive effect of the N-trifluoromethyl group on hERG inhibition, and also discussed the conformational preference of representative compounds To occupy a presumed hydrophobic space between the pyrimidine and piperidine rings in interaction with GPR119, were replaced the linker oxygen with nitrogen. Subsequently, the introduction of a substituent at the bridging nitrogen atom was explored. We found that the installation of N-trifluoromethyl group I [R = 5-methylsulfonylindolin-1-yl, R1 = tert-butoxycarbonyl] not only enhanced GPR119 agonist activity but also considerably improved the human ether-a-go-go-related gene (hERG) inhibition profile. These improvements were not observed for non-fluorinated substituents, such as Et analog II [R2 = (1-tert-butoxycarbonyl-4-piperidyl)-ethyl-amino]. The next optimization effort focused on the exploration of a new surrogate structure for the indoline ring and the isosteric replacements of the piperidine N-Boc group to improve solubility, metabolic stability, and oral bioavailability. As a result, I [R = 5-methylsulfonylindolin-1-yl, R1 = 3-(1-fluoro-1-methyl-ethyl)-1,2,4-oxadiazol-5-yl] was identified as a potent and orally bioavailable GPR119 agonist. This compound augmented insulin secretion and effectively lowered plasma glucose excursion in a diabetic animal model after oral administration.Azetidin-3-ol hydrochloride(cas: 18621-18-6HPLC of Formula: 18621-18-6) was used in this study.

Azetidin-3-ol hydrochloride(cas:18621-18-6) is one of azetidine.Azetidines (azacyclobutanes) constitute a well-known class of heterocyclic compounds. Azetidine scaffold has been discovered in several natural products.HPLC of Formula: 18621-18-6 Several pharmacologically important synthetic compounds also contain azetidine ring. Because of inherent ring strain, the synthesis of azetidines is a challenging endeavor.

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Bae, Eun Jung; Choi, Won Gun; Pagire, Haushabhau S.; Pagire, Suvarna H.; Parameswaran, Saravanan; Choi, Jun-Ho; Yoon, Jihyeon; Choi, Won-il; Lee, Ji Hun; Song, Jin Sook; Bae, Myung Ae; Kim, Mijin; Jeon, Jae-Han; Lee, In-Kyu; Kim, Hail; Ahn, Jin Hee published an article in 2021. The article was titled 《Peripheral Selective Oxadiazolylphenyl Alanine Derivatives as Tryptophan Hydroxylase 1 Inhibitors for Obesity and Fatty Liver Disease》, and you may find the article in Journal of Medicinal Chemistry.Computed Properties of C6H7BO3 The information in the text is summarized as follows:

Tryptophan hydroxylase 1 (TPH1) has been recently suggested as a promising therapeutic target for treating obesity and fatty liver disease. A new series of 1,2,4-oxadiazolylphenyl alanine derivatives were identified as TPH1 inhibitors. Among them, compound 23a was the most active in vitro, with an IC50 (half-maximal inhibitory concentration) value of 42 nM, showed good liver microsomal stability, and showed no significant inhibition of CYP and hERG. Compound 23a inhibited TPH1 in the peripheral tissue with limited BBB penetration. In high-fat diet-fed mice, 23a reduced body weight gain, body fat, and hepatic lipid accumulation. Also, 23a improved glucose intolerance and energy expenditure. Taken together, compound 23a shows promise as a therapeutic agent for the treatment of obesity and fatty liver diseases. The results came from multiple reactions, including the reaction of 2-Hydroxyphenylboronic acid(cas: 89466-08-0Computed Properties of C6H7BO3)

2-Hydroxyphenylboronic acid(cas: 89466-08-0) belongs to acyl phenylboronic acid. Phenylboronic acid (PBA) has been used to extract β-blockers (a class of aminoalcohol-containing drugs) from aqueous solution, rat, and human plasma. Computed Properties of C6H7BO3

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Poggini, Lorenzo; Tancini, Erik; Danieli, Chiara; Sorrentino, Andrea Luigi; Serrano, Giulia; Lunghi, Alessandro; Malavolti, Luigi; Cucinotta, Giuseppe; Barra, Anne-Laure; Juhin, Amelie; Arrio, Marie-Anne; Li, Weibin; Otero, Edwige; Ohresser, Philippe; Joly, Loic; Kappler, Jean Paul; Totti, Federico; Sainctavit, Philippe; Caneschi, Andrea; Sessoli, Roberta; Cornia, Andrea; Mannini, Matteo published an article in 2021. The article was titled 《Engineering Chemisorption of Fe4 Single-Molecule Magnets on Gold》, and you may find the article in Advanced Materials Interfaces.Recommanded Product: 821-41-0 The information in the text is summarized as follows:

Gaining control over the grafting geometry is critically important for any application of surface-supported single-mol. magnets (SMMs) in data storage, spintronics, and quantum information science. Here, tetrairon(III) SMMs with a propeller-like structure are functionalized with thioacetyl-terminated alkyl chains to promote chemisorption on gold surfaces from solution and to evaluate differences in adsorption geometry and magnetic properties as a function of chain length. The prepared monolayers are investigated using X-ray absorption techniques with linearly and circularly polarized light to extract geometrical and magnetic information, resp. All derivatives remain intact and form partially oriented monolayers on the gold surface. A ligand-field anal. of the observed X-ray natural linear dichroism shows that the threefold mol. axis is invariably biased toward the surface normal, in agreement with ab initio calculations This preferential orientation is most pronounced in monolayers of the shortest-chain derivative, which are further studied with an ultralow temperature X-ray magnetic CD setup operating down to 350 mK. The isothermal field sweeps with the magnetic field at normal incidence show an open hysteresis loop below 1 K, while measurements at different incidence angles prove the magnetic anisotropy of the monolayers. After reading the article, we found that the author used 5-Hexen-1-ol(cas: 821-41-0Recommanded Product: 821-41-0)

5-Hexen-1-ol(cas: 821-41-0) is used in cyclization to a tetrahydropyran by phenylselenoetherification. It is also used as a building block in synthetic chemistry.Recommanded Product: 821-41-0

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Yayli, Nurettin; Kilic, Gozde; Celik, Gonca; Kahriman, Nuran; Kanbolat, Seyda; Bozdeveci, Arif; Karaoglu, Sengul Alpay; Aliyazicioglu, Rezzan; Sellitepe, Hasan Erdinc; Dogan, Inci Selin; Aydin, Ali published an article in 2021. The article was titled 《Synthesis of hydroxy benzoin/benzil analogs and investigation of their antioxidant, antimicrobial, enzyme inhibition, and cytotoxic activities》, and you may find the article in Turkish Journal of Chemistry.Product Details of 26153-38-8 The information in the text is summarized as follows:

In this study, hydroxy benzoin R1C(O)CH(OH)R2 (I) (R1 = 3-hydroxyphenyl, 4-hydroxyphenyl, 3,5-dihydroxyphenyl; R2 = Ph, 3-hydroxyphenyl, 3,5-dihydroxyphenyl; R1 = R2 = 3,5-dihydroxyphenyl), benzil R1C(O)C(O)R2, and benzoin/benzil-O-β;-D-glucosides R3C(O)CH(OH)R4 [R3 = (3-D-glucopyranosyl)phenyl, (4-D-glucopyranosyl)phenyl, (3,5-di-D-glucopyranosyl)phenyl, 3-hydroxyphenyl; R4 = Ph, 3-hydroxyphenyl, (3-D-glucopyranosyl)phenyl]/R3C(O)C(O)R5 (R5 = Ph, 3-hydroxyphenyl, 4-hydroxyphenyl) were synthesized to investigate their biol. activities. An efficient method for synthesizing hydroxy benzoin compounds (I) was prepared from four different benzaldehydes using an ultrasonic bath. Then, antioxidant (FRAP, CUPRAC, and DPPH), antimicrobial (3 G (-), 4/6 G (+), one tuberculosis and one fungus), and enzyme inhibition (acetylcholinesterase, butyrylcholine esterase, tyrosinase, α-amylase, and α- glucosidase) for the all synthesized compounds were evaluated. And also, four most active compounds (R1C(O)CH(OH)R2 (R1 = R2 = 3-hydroxyphenyl) (II), R1C(O)C(O)R2 (R1 = 3-hydroxyphenyl; R2 = 4-hydroxyphenyl), R3C(O)CH(OH)R4 [R3 = R4 = (3-D-glucopyranosyl)phenyl, 3-hydroxyphenyl], and R3C(O)C(O)R5 (R3 = (3-D-glucopyranosyl)phenyl; R5 = 4-hydroxyphenyl)) from each group were evaluated to the human cervical cancer cell line (HeLa) and anticancer screening tests against the human retinal normal cell line (RPE). Compound (II) showed HeLa and RPE cancer cell activities as much as cisplatin. The synthesized compounds were characterized by spectroscopic methods (NMR, FT-IR, UV, LC-QTOF-MS) and the ACD NMR program’s help. In the part of experimental materials, we found many familiar compounds, such as 3,5-Dihydroxybenzaldehyde(cas: 26153-38-8Product Details of 26153-38-8)

3,5-Dihydroxybenzaldehyde(cas: 26153-38-8) is used as a building block in the synthesis of more complex structures. It is also used in the synthesis of terbutaline, which is an important bronchodilator.Product Details of 26153-38-8

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Smolobochkin, A. V.; Gazizov, A. S.; Urgenishbay, N. M.; Melyashova, A. S.; Burilov, A. R.; Pudovik, M. A. published their research in Russian Chemical Bulletin on February 29 ,2020. The article was titled 《Synthesis of (E)-4-(4-chlorobenzylidene)-3,4-dihydro-2H-pyrrole-based pyrrolinium salts》.Recommanded Product: 6346-09-4 The article contains the following contents:

Pyrrolinium salts containing 3-arylidene fragment were obtained. Their synthesis is based on the reaction of (E)-4-(4-chlorobenzylidene)-3,4-dihydro-2H-pyrrole with various bromo-alkanes. Structures of the obtained compounds were confirmed by a set of physico-chem. anal. methods. In the experiment, the researchers used 4,4-Diethoxybutan-1-amine(cas: 6346-09-4Recommanded Product: 6346-09-4)

4,4-Diethoxybutan-1-amine(cas: 6346-09-4) belongs to anime. Many important products require amines as part of their syntheses. Methylamine is utilized in the production of the analgesic meperidine (trade name Demerol) and the photographic developer Metol (trademark), and dimethylamine is used in the synthesis of the antihistamine diphenhydramine (trade name Benadryl), the solvent dimethylformamide (DMF), and the rocket propellant 1,1-dimethylhydrazine. The synthesis of the insect repellent N,N-diethyl-m-toluamide (DEET) incorporates diethylamine while that of the synthetic fibre Kevlar requires aromatic amines.Recommanded Product: 6346-09-4

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Preston, Alex; Atkinson, Stephen J.; Bamborough, Paul; Chung, Chun-wa; Gordon, Laurie J.; Grandi, Paola; Gray, James R. J.; Harrison, Lee A.; Lewis, Antonia J.; Lugo, David; Messenger, Cassie; Michon, Anne-Marie; Mitchell, Darren J.; Prinjha, Rab K.; Rioja, Inmaculada; Seal, Jon; Taylor, Simon; Thesmar, Pierre; Wall, Ian D.; Watson, Robert J.; Woolven, James M.; Demont, Emmanuel H. published their research in ACS Medicinal Chemistry Letters on August 13 ,2020. The article was titled 《GSK973 Is an Inhibitor of the Second Bromodomains (BD2s) of the Bromodomain and Extra-Terminal (BET) Family》.Reference of 4,4-Diethoxybutan-1-amine The article contains the following contents:

Pan-BET inhibitors have shown profound efficacy in a number of in vivo preclin. models and have entered the clinic in oncol. trials where adverse events have been reported. These inhibitors interact equipotently with the eight bromodomains of the BET family of proteins. To better understand the contribution of each domain to their efficacy and to improve from their safety profile, selective inhibitors are required. This Letter discloses the profile of GSK973, a highly selective inhibitor of the second bromodomains of the BET proteins that has undergone extensive preclin. in vitro and in vivo characterization. The experimental part of the paper was very detailed, including the reaction process of 4,4-Diethoxybutan-1-amine(cas: 6346-09-4Reference of 4,4-Diethoxybutan-1-amine)

4,4-Diethoxybutan-1-amine(cas: 6346-09-4) belongs to anime. Aniline, ethanolamines, and several other amines are major industrial commodities used in making rubber, dyes, pharmaceuticals, and synthetic resins and fibres and for a host of other applications. Most of the numerous methods for the preparation of amines may be broadly divided into two groups: (1) chemical reduction (replacement of oxygen with hydrogen atoms in the molecule) of members of several other classes of organic nitrogen compounds and (2) reactions of ammonia or amines with organic compounds.Reference of 4,4-Diethoxybutan-1-amine

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Ghoshal, Anirban; Yadav, Anamika; Srivastava, Ajay Kumar published their research in Journal of Organic Chemistry on December 4 ,2020. The article was titled 《[3 + 2]-Dipolar Cycloaddition of Aldehyde-Tethered Alkynamides and Trimethylsilyl Amino Esters: A Gateway to Uniquely Functionalized Polycyclic N-Heterocycles via Post-Ugi Functionalization》.Computed Properties of C8H19NO2 The article contains the following contents:

An efficient method for the generation of uniquely functionalized pyrrolo-pyrrolizinones, pyrido-pyrrolizinones, and azepino-pyrrolizinones via [3 + 2]-dipolar cycloaddition is described. The method involves the synthesis of tethered alkynamides using Ugi condensation and oxidation that were subsequently subjected to a dipolar cycloaddition reaction with trimethylsilyl amino esters. Further transformations to demonstrate the utility of these scaffolds were also investigated. In the experiment, the researchers used many compounds, for example, 4,4-Diethoxybutan-1-amine(cas: 6346-09-4Computed Properties of C8H19NO2)

4,4-Diethoxybutan-1-amine(cas: 6346-09-4) belongs to anime. Amines can be classified according to the nature and number of substituents on nitrogen. Aliphatic amines contain only H and alkyl substituents. Aromatic amines have the nitrogen atom connected to an aromatic ring.Important amines include amino acids, biogenic amines, trimethylamine, and aniline. Inorganic derivatives of ammonia are also called amines, such as monochloramine (NClH2).Computed Properties of C8H19NO2

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