Tag: M.W=100-150

Hermida-Merino, Daniel published the artcileEnhancement of microphase ordering and mechanical properties of supramolecular hydrogen-bonded polyurethane networks, Quality Control of 622-40-2, the publication is Polymer Chemistry (2018), 9(24), 3406-3414, database is CAplus.

The improvement of the mech. properties of supramol. polymer networks is currently receiving significant interest both within academic and industrial circles in order to enable the application of these desirable stimuli-responsive materials in real world situations. In this study, structural units within phase separated supramol. polyurethane (SPU) networks have been changed to assess the role of the hard segment composition on the mech. characteristics of the resultant materials. Notably, increasing the degrees of conformational freedom within the hard segment component of a SPU was found to improve the phase separation and as a consequence also increase the storage modulus of the polymer network. Specifically, replacing 4,4′-methylene di-Ph diisocyanate with 4,4′-dibenzyl diisocyanate within a SPU improved the packing efficiency of the isocyanate derived hard segments and improved the phys. properties of the supramol. polymer network. This study utilized a combination of SAXS, WAXS and AFM anal. to assess the degree of crystallinity within the hard segment component of the polymer network while rheol. anal. was used to establish the mech. characteristics of the polymers.

Polymer 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, Quality Control of 622-40-2.

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

Bonnet, Nelly published the artcileIonic strength mediated hydrophobic force switching of CF₃-terminated ethylene glycol self-assembled monolayers (SAMs) on gold, Quality Control of 2240-88-2, the publication is Chemical Communications (Cambridge, United Kingdom) (2007), 5066-5068, database is CAplus and MEDLINE.

We have synthesized oligo(ethylene glycol) CF₃-terminated switching self-assembled monolayers, which allow the force experienced by a hydrophobic object to be controlled via the ionic strength of the environment.

Chemical Communications (Cambridge, United Kingdom) 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, Quality Control of 2240-88-2.

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

Ohnishi, Ryuhei published the artcileCationic Dirhodium Complexes Bridged by 2-Phosphinopyridines Having an Exquisitely Positioned Axial Shielding Group: A Molecular Design for Enhancing the Catalytic Activity of the Dirhodium Core, Formula: C9H12O, the publication is Organometallics (2021), 40(15), 2678-2690, database is CAplus.

This report describes a strategy to create highly electrophilic dirhodium catalysts. The electrophilicity of lantern-type dirhodium complexes is generally decreased by the coordination of a ligand to the axial site, which often causes a reduction in the catalytic activity. The authors designed and synthesized cationic dirhodium complexes bridged by 2-diarylphosphinopyridines having a bulky 2,4,6-triisopropylphenyl (Tip) group that can prevent the attack of external mols. to the closest axial site. Theor. calculations indicated that the Tip group weakly interacts with the axial site but hardly reduces the electrophilicity of the dirhodium core. The complexes served as excellent catalyst precursors for the dehydrogenative silylation of alcs. using hydrosilanes under mild conditions and a low metal loading, producing the silyl ethers in higher yields in comparison to conventional dirhodium complexes.

Organometallics 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 C9H12O, Formula: C9H12O.

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

Ochiai, Hiroshi published the artcileOrally active PDE4 inhibitor with therapeutic potential, Application of 3,3,3-Trifluoropropan-1-ol, the publication is European Journal of Medicinal Chemistry (2004), 39(7), 555-571, database is CAplus and MEDLINE.

Based on the promising results obtained by the clin. trial of Ariflo (I), further optimization of the spatial arrangement of the three pharmacophores (the carboxylic acid moiety, nitrile moiety and 3-cyclopentyloxy-4-methoxyphenyl moiety) in the structure of I was attempted using a bicyclo[3 3 0]octane template with more stereochem. diversity than the cyclohexane template of I. Biol. evaluation of the decyanated analogs and further optimization of the cyclopentyloxy moiety of II (R = cyclopentyl; X = OH, NHOH) were also performed. Among the compounds tested, II [R = cyclopentyl; X = OH (III)], IV and II (X = OH, R = 2,3-dihydro-1H-indene-2-yl) were found to be orally active and were estimated to have therapeutic potential based on cross-species and same-species comparisons. The structure-activity relationships (SARs) of these compounds were investigated and pharmacokinetic data for III and IV (X = NHOH) were also obtained by single-dose studies in rats.

European Journal of Medicinal 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, Application of 3,3,3-Trifluoropropan-1-ol.

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

Drouet, Fleur published the artcileA Convenient Method for the Asymmetric Synthesis of Fluorinated α-Amino Acids from Alcohols, Synthetic Route of 2240-88-2, the publication is European Journal of Organic Chemistry (2014), 2014(6), 1195-1201, database is CAplus.

Due to their numerous applications, fluorinated amino acids have recently attracted significant attention. The preparation of fluorine-containing phenylalanines and aliphatic fluorinated amino acids using Mitsunobu-Tsunoda alkylation of a chiral nucleophilic glycine equivalent with readily available alc. substrates is described. The reaction proceeds in high yields and with excellent diastereoselectivity. This method provides an efficient synthetic route to fluorinated amino acids for which asym. approaches are scarce.

European 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, Synthetic Route of 2240-88-2.

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

Naidu, Priya S. R. published the artcileNovel Hydrophilic Copolymer-Based Nanoparticle Enhances the Therapeutic Efficiency of Doxorubicin in Cultured MCF-7 Cells, Recommanded Product: 2-Morpholinoethanol, the publication is ACS Omega (2019), 4(17), 17083-17089, database is CAplus and MEDLINE.

Nanoparticle drug delivery applications have predominantly focused on the entrapment and delivery of hydrophobic mols. with poor water solubility However, benefits can also be obtained from nanoparticle-based delivery of hydrophilic therapeutics. This study reports on the development of a p(HEMA-ran-GMA)-based nanoparticle synthesized via a spontaneous water-in-oil inverse nanoemulsion to deliver doxorubicin, a water-soluble chemotherapeutic. High drug loading efficiency and sustained release of doxorubicin from Cy5-functionalized p(HEMA-ran-GMA) nanoparticles enabled effective inhibition of the MCF-7 human breast cancer derived cell line. Direct comparative analyses with a hydrophobic PGMA nanoparticle demonstrated enhanced capabilities of the p(HEMA-ran-GMA)-based nanoparticle in vitro. The results suggest that p(HEMA-ran-GMA)-based nanoparticles, which are better suited for hydrophilic drug loading and delivery, may have the potential for the improved therapeutic effect in vivo by enhanced permeation and retention of the nanoparticles by avoidance of off-site side effects of the chemotherapeutic.

ACS Omega 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, Recommanded Product: 2-Morpholinoethanol.

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

Svec, Pavel published the artcileIodinated Choline Transport-Targeted Tracers, Recommanded Product: 2-Morpholinoethanol, the publication is Journal of Medicinal Chemistry (2020), 63(24), 15960-15978, database is CAplus and MEDLINE.

We present a novel series of radioiodinated tracers and potential theranostics for diseases accompanied by pathol. function of proteins involved in choline transport. Unlike choline analogs labeled with ¹¹C or ¹⁸F that are currently used in the clinic, the iodinated compounds described herein are applicable in positron emission tomog., single-photon emission computed tomog., and potentially in therapy, depending on the iodine isotope selection. Moreover, favorable half-lives of iodine isotopes result in much less challenging synthesis by isotope exchange reaction. Six of the described compounds were nanomolar ligands, and the best compound possessed an affinity 100-fold greater than that of choline. Biodistribution data of ¹²⁵I-labeled ligands in human prostate carcinoma bearing (PC-3) mice revealed two compounds with a biodistribution profile superior to that of [¹⁸F]fluorocholine.

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 C9H21NO3, Recommanded Product: 2-Morpholinoethanol.

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

Sun, Yang published the artcileTheoretical study on the mechanisms of the decomposition of nitrate esters and the stabilization of aromatic amines, Related Products of alcohols-buliding-blocks, the publication is Journal of Molecular Modeling (2019), 25(12), 346, database is CAplus and MEDLINE.

The nitrate esters are important components of double-base propellants. Aromatic amines are recommended as the stabilizers to delay the decomposition of nitrate esters and increase their storage time. The decomposition mechanisms of alkyl, alkoxy dinitrate, and poly-fluoride nitrate esters and the stabilizing effect of aromatic amines including new designed phenols are studied at the level of B3LYP/6-31G**. Alkyl and alkoxyl dinitrate esters are likely to be transformed by hydrogen abstraction, which is consistent with that of mononitrate and trinitrate esters. However, for poly-fluoride nitrate esters, NO₂ catalyzed self-decomposition is preferred. In addition, comparing with mononitrate and trinitrate esters, the order of their stability is mononitrates > dinitrates > trinitrates. Poly-fluoride nitrate esters have a poorer stability than non-fluorinated nitrate esters. Comparing with parent nitrate esters, the stability of new designed poly-fluoride oxygen-containing nitrate esters is slightly improved. Aromatic amines including new designed phenols are effective stabilizers of nitrate esters, especially when introduced hydroxyl in the para position, can enhance the effects of stabilizers. The rate constants for the decomposition of nitrate esters and the bimol. reaction between stabilizers and NO₂ are calculated by using traditional transition state theory.

Journal of Molecular Modeling published new progress about 14703-69-6. 14703-69-6 belongs to alcohols-buliding-blocks, auxiliary class Amine,Benzene,Phenol, name is 3-(Methylamino)phenol, and the molecular formula is C24H20Ge, Related Products of alcohols-buliding-blocks.

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

Halloran, Matthew W. published the artcileSmall molecule plasticizers for improved migration resistance: Investigation of branching and leaching behaviour in PVC blends, Synthetic Route of 111-29-5, the publication is Materials Today Communications (2021), 102874, database is CAplus.

The influence of branching on plasticizer effectiveness and migration behavior of heptyl-succinate plasticizers blended with poly(vinyl chloride) (PVC) was evaluated. An increase of branching led to a decrease in migration of the plasticizers into both hexanes and vegetable oil medias. Addnl., a quant. ¹H NMR method was used to identify plasticizer concentration in the leachates and compared to a gravimetric standard test method. Overall, the quant. ¹H NMR method proved to be a more direct method to assess leaching. In comparison to com. plasticizer di(2-ethylhexyl) phthalate (DEHP) and alternative plasticizer diheptyl succinate (DHPS), all of the branched species displayed superior migration resistance into hexanes (two to ten-fold). The glass transition temperatures and stress at break data indicated that the plasticizers comprised of up to three branches functioned as well as, or better than DEHP and DHPS. However, there was a decrease in plasticizer efficiency with compounds comprised of four or more branches.

Materials Today Communications 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, Synthetic Route of 111-29-5.

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

Sakti, Aditya Wibawa published the artcileRigorous pK_a Estimation of Amine Species Using Density-Functional Tight-Binding-Based Metadynamics Simulations, Quality Control of 622-40-2, the publication is Journal of Chemical Theory and Computation (2018), 14(1), 351-356, database is CAplus and MEDLINE.

Predicting pK_a values for different types of amine species with high accuracy and efficiency is of critical importance for the design of high performance and economical solvents in carbon capture and storage with aqueous amine solutions In this study, we demonstrate that d.-functional tight-binding (DFTB) metadynamics simulations are a promising approach to calculate the free energy difference between the protonated and neutral states of amines in aqueous solution with inexpensive computational cost. The calculated pKa values were in satisfactory agreement with the exptl. values, the mean absolute deviation being only 0.08 pK_a units for 34 amines commonly used in CO₂ scrubbing. Such superior reproducibility and correlation compared to estimations by static quantum mech. calculations highlight the significant effect of dynamical proton transfer processes in explicit solvent mols. for the improvement of the estimation accuracy. Note that the accuracy of the estimated pK_a might be dependent on the adopted systems, due to the limitation of the DFTB parameter.

Journal of Chemical Theory and Computation 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, Quality Control of 622-40-2.

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