Tag: M.W=100-150

Reddy, A. B. published the artcileTriazino-caffeine Derivatives by Intramolecular Cyclization: Synthesis, Characterization and Antimicrobial Studies, Category: alcohols-buliding-blocks, the publication is Letters in Organic Chemistry (2018), 15(6), 540-545, database is CAplus.

In the present study, a new class of triazino-caffeine derivatives with good antimicrobial activities is reported. Eight new triazino-caffeine derivatives were synthesized via Mitsunobu reaction, followed by intramol. cyclization. Their chem. structures were established on the basis of elemental anal., IR, 1H NMR, mass spectral data as well as through an alternate synthetic route. The compounds were also screened for their antimicrobial activities, among them, compounds I (R = Me, H) showed good inhibitory potentials, indicating the importance of the morpholine moiety in enhancing antimicrobial activity. Therefore, it is concluded that the triazino-caffeine derivatives developed, show encouraging potentials in their medicinal applications.

Letters in Organic Chemistry published new progress about 622-40-2. 622-40-2 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Alcohol, name is 2-Morpholinoethanol, and the molecular formula is C6H13NO2, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Shinkai, Takahiro published the artcileInfrared spectroscopy and theoretical structure analyses of protonated fluoroalcohol clusters: the impact of fluorination on the hydrogen bond networks, Application In Synthesis of 2240-88-2, the publication is Physical Chemistry Chemical Physics (2022), 24(20), 12631-12644, database is CAplus and MEDLINE.

To explore the impact of fluorination on the hydrogen bond networks of protonated alkylalcs., IR spectroscopy and theor. computations of protonated 2,2,2-trifluoroethanol clusters, H⁺(TFE)_n, (n = 4-7), were performed. It has been demonstrated that the development of the hydrogen bond networks from a linear type to cyclic types occurs in this size region for the protonated alkylalc. clusters. In contrast, IR spectroscopy of H⁺(TFE)_n in the OH/CH stretch region clearly indicated that the linear type structures are held in the whole size range, irresp. of temperature of the clusters. The extensive stable isomer structure search of H⁺(TFE)_n based on our latest sampling approach supported the strong preference of the linear type hydrogen bond networks. Detailed analyses of the free OH stretching vibrational bands evidenced the intra- and intermol. OH···FC interactions in the clusters. In addition, IR spectra of protonated clusters of 2,2-difluoroethanol, 2,2-difluoropropanol, and 3,3,3-trifluoropropanol were measured for n = 4 and 5, and their spectra also indicated the effective inhibition of the cyclic hydrogen bond network formation by the fluorination.

Physical Chemistry Chemical Physics published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C10H10N2, Application In Synthesis of 2240-88-2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Zhao, Mingxing published the artcileHydrodeoxygenation of lignin-derived phenolics over facile prepared bimetallic RuCoN_x/NC, Application In Synthesis of 645-56-7, the publication is Fuel (2022), 121979, database is CAplus.

Cyclohexanols, promising oxygenated fuel additives and value-added chems., can be obtained by hydrodeoxygenation (HDO) of lignin-derived phenolics. Here, an N-doped bimetallic RuCoN_x/NC catalyst was facilely prepared for HDO by direct pyrolysis of chitin impregnated with precursors of Ru and Co. Characterization of RuCoN_x/NC with N₂ sorption, SEM (SEM), high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), XPS and NH₃ temperature-programmed desorption (NH₃-TPD) reveal that the metallic particles of electron-deficient Ru species and electron-enriched Co species were uniformly anchored on the micro-mesoporous N-doped carbon matrix with high dispersion and nano-scale size. The abundant accessible active sites and continuous spillover of H from Ru to Co make RuCoN_x/NC an excellent HDO catalyst. 4-Propylguaiacol, a typical phenolic compound from lignin degradation, was hydrodeoxygenated into 92% 4-propylcyclohexanol over RuCoN_x/NC at 210°C. With temperature increasing, propylcyclohexane became the major product, possessing 95% selectivity at 280°C after 6 h. Reusability tests show that RuCoN_x/NC can be recycled four times without the loss of conversion and initial selectivity. HDO of other phenolic compounds confirms the general applicability of RuCoN_x/NC.

Fuel published new progress about 645-56-7. 645-56-7 belongs to alcohols-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 4-Propylphenol, and the molecular formula is C4H5NS2, Application In Synthesis of 645-56-7.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Wang, Haiyong published the artcileSelective (ligno) cellulose hydrogenolysis to ethylene glycol and propyl monophenolics over Ni-W@C catalysts, Synthetic Route of 645-56-7, the publication is Cellulose (Dordrecht, Netherlands) (2020), 27(13), 7591-7605, database is CAplus.

The bi-functional Ni-W@C catalysts were prepared by one-pot reduction-carbonization method and used in hydrogenolysis of cellulose as well as raw lignocellulosic biomass to chems. The catalytic performance for cellulose conversion showed that it was more favorable for ethylene glycol (EG) production, obtaining the highest EG yield 60.1% over the Ni-W@C₇₀₀ catalyst. The Ni-W@C bimetallic catalysts are systematically characterized with BET, XRD, Raman, XPS, TEM techniques and experiments to probe the active catalytic sites of the catalysts. The effects of calcination temperature of Ni-W catalysts, reaction time, temperature and H₂ pressure on cellulose hydrogenolysis were investigated in detail. The Ni particles could lead to produce more W⁵⁺ active sites, which promotes the glucose retro-aldol condensation to break the target C-C bonds. Metallic Ni catalyzed C=O hydrogenation and C-C hydrogenolysis, which could also avoid the coke formation. The EG selectivity was dependent on the synergy of WO_x and Ni metal sites. In addition, this synergistic effect between the metal and WO_x could promote lignin component degradation in direct conversion of untreated raw lignocellulosic biomass, obtaining the Pr monophenolics including guaiacylpropane, syringylpropane and p-n-propylphenol with a total yield of 17.3 wt% besides EG.

Cellulose (Dordrecht, Netherlands) published new progress about 645-56-7. 645-56-7 belongs to alcohols-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 4-Propylphenol, and the molecular formula is C20H17FO4S, Synthetic Route of 645-56-7.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Bellotti, Peter published the artcileCatalytic defluorinative ketyl-olefin coupling by halogen-atom transfer, COA of Formula: C5H12O2, the publication is Chemical Science (2022), 13(26), 7855-7862, database is CAplus and MEDLINE.

A new approach to achieve catalytic ketyl-olefin coupling reactions by a halogen-atom transfer mechanism provides innovative and efficient access to various gem-difluorohomoallylic alcs. 4-OCH₃C₆H₄C(=C(F)₂)CH₂C(OC(O)C₆H₅)R [R = H, n-pentyl, cyclohexyl, 2-(4-fluorophenyl)ethyl, etc.] under mild conditions with broad substrate scope. Preliminary mechanistic exptl. and computational studies demonstrate that this radical-to-polar crossover transformation could be achieved by sequentially orchestrated Lewis acid activation, halogen-atom transfer, radical addition, single-electron reduction and β-fluoro elimination.

Chemical Science published new progress about 111-29-5. 111-29-5 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ploymers, name is Pentane-1,5-diol, and the molecular formula is C5H12O2, COA of Formula: C5H12O2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Haag, Franziska published the artcileKey Food Furanones Furaneol and Sotolone Specifically Activate Distinct Odorant Receptors, Application of 2-Phenylethanethiol, the publication is Journal of Agricultural and Food Chemistry (2021), 69(37), 10999-11005, database is CAplus and MEDLINE.

Furanones formed during the Maillard reaction often are natural aroma-determining compounds found in numerous foods. Prominent economically relevant representatives are the structural homologues Furaneol and sotolone, which are important natural flavoring compounds because of their distinct caramel- and seasoning-like odor qualities. These, however, cannot be predicted by the odorants’ mol. shape, rather their receptors’ activation parameters help to decipher the encoding of odor quality. Here, the distinct odor qualities of Furaneol and sotolone suggested an activation of at least two out of our ca. 400 different odorant receptor types, which are the mol. biosensors of our chem. sense of olfaction. While an odorant receptor has been identified for sotolone, a receptor specific for Furaneol has been elusive. Using a bidirectional screening approach employing 616 receptor variants and 187 key food odorants in a HEK-293 cell-based luminescence assay, we newly identified OR5M3 as a receptor specifically activated by Furaneol and homofuraneol.

Journal of Agricultural and Food Chemistry published new progress about 4410-99-5. 4410-99-5 belongs to alcohols-buliding-blocks, auxiliary class Thiol,Benzene, name is 2-Phenylethanethiol, and the molecular formula is C8H10S, Application of 2-Phenylethanethiol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Baell, Jonathan B. published the artcileNew Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays, Related Products of alcohols-buliding-blocks, the publication is Journal of Medicinal Chemistry (2010), 53(7), 2719-2740, database is CAplus and MEDLINE.

This report describes a number of substructural features which can help to identify compounds that appear as frequent hitters (promiscuous compounds) in many biochem. high throughput screens. The compounds identified by such substructural features are not recognized by filters commonly used to identify reactive compounds Even though these substructural features were identified using only one assay detection technol., such compounds have been reported to be active from many different assays. In fact, these compounds are increasingly prevalent in the literature as potential starting points for further exploration, whereas they may not be.

Journal of Medicinal Chemistry published new progress about 17236-59-8. 17236-59-8 belongs to alcohols-buliding-blocks, auxiliary class Thiophene,Alcohol, name is Thiophen-3-ol, and the molecular formula is C4H4OS, Related Products of alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Salplachta, Jiri published the artcileIdentification of bacterial uropathogens by preparative isoelectric focusing and MALDI-TOF mass spectrometry, COA of Formula: C6H13NO2, the publication is Journal of Chromatography A (2018), 232-237, database is CAplus and MEDLINE.

This study describes a new method for simultaneous identification of uropathogens in the case of polybacterial urinary tract infections. The method utilizes recently developed preparative isoelec. focusing (IEF) in cellulose-based separation medium with a subsequent anal. by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS). Preparative IEF was successfully used for both purification and separation of bacteria, Escherichia coli (pI 4.6) and Staphylococcus aureus (pI 3.4), in urine samples. The focused zones of bacteria, localized by the positions of focused colored pI markers, were easily collected from the separation media after the IEF anal. and then unambiguously identified by MALDI-TOF MS. The proposed method enables the identification of bacteria in urine specimens when the concentration of individual bacteria is ≥10⁴ cells mL^-1. Another benefit is the viability of bacteria extracted from the collected fractions after preparative IEF.

Journal of Chromatography A published new progress about 622-40-2. 622-40-2 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Alcohol, name is 2-Morpholinoethanol, and the molecular formula is C6H13NO2, COA of Formula: C6H13NO2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Hashimoto, Yuka published the artcilePhoto-on-Demand Base-Catalyzed Phosgenation Reactions with Chloroform: Synthesis of Arylcarbonate and Halocarbonate Esters, Related Products of alcohols-buliding-blocks, the publication is Journal of Organic Chemistry (2021), 86(14), 9811-9819, database is CAplus and MEDLINE.

Carbonate esters are utilized as solvents and reagents for C1 building blocks in organic synthesis. This study reports a novel photo-on-demand in situ synthesis of carbonate esters with CHCl₃ solutions containing a mixture of an aromatic or haloalkyl alc. having relatively high acidity, and an organic base. We found that the acid-base interaction of the alc. and base in the CHCl₃ solution plays a key role in enabling the photochem. reaction. This reaction allows practical syntheses of di-Ph carbonate derivatives, haloalkyl carbonates, and polycarbonates, which are important chems. and materials in industry.

Journal of Organic Chemistry published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C3H5F3O, Related Products of alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Tse, Edwin G. published the artcileNonclassical Phenyl Bioisosteres as Effective Replacements in a Series of Novel Open-Source Antimalarials, SDS of cas: 622-40-2, the publication is Journal of Medicinal Chemistry (2020), 63(20), 11585-11601, database is CAplus and MEDLINE.

The replacement of one chem. motif with another that is broadly similar is a common method in medicinal chem. to modulate the phys. and biol. properties of a mol. (i.e., bioisosterism). In recent years, bioisosteres such as cubane and bicyclo[1.1.1]pentane (BCP) have been used as highly effective Ph mimics. Herein, we show the successful incorporation of a range of Ph bioisosteres during the open-source optimization of an antimalarial series. Cubane (19) and closo-carborane (23) analogs exhibited improved in vitro potency against Plasmodium falciparum compared to the parent Ph compound; however, these changes resulted in a reduction in metabolic stability; unusually, enzyme-mediated oxidation was found to take place on the cubane core. A BCP analog (22) was found to be equipotent to its parent Ph compound and showed significantly improved metabolic properties. While these results demonstrate the utility of these atypical bioisosteres when used in a medicinal chem. program, the search to find a suitable bioisostere may well require the preparation of many candidates, in our case, 32 compounds

Journal of Medicinal Chemistry published new progress about 622-40-2. 622-40-2 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Alcohol, name is 2-Morpholinoethanol, and the molecular formula is C2H2N4O2, SDS of cas: 622-40-2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts