Author: tianli

Moriai, Ryota published the artcileDesign and synthesis of 2-(1,3-dialkoxy-2-methylpropan-2-yl)-1,3-diarylpropanes as tethering units for folded H-stacking polymers, Formula: C20H28B2O4S2, the publication is Tetrahedron Letters (2014), 55(16), 2649-2653, database is CAplus.

1,3-Diarylpropenes 9 having a 1,3-dialkoxy-2-methylpropan-2-yl group were designed as tethering monomers for folded H-stacking polymers, and were readily synthesized from 2-ethoxymethylidene malonate in four- or five-steps, including a facile sequential addition-elimination-addition reaction of benzyl zinc reagents. The preference for the closed (stacked) conformation in the resulting 2-substituted 1,3-diarylpropanes 9 was evaluated using MM2 calculations, ¹H NMR analyses, and fluorescence measurements. Copolymerization of the resulting monomers 9 with compounds containing π-units provided polymers with blue-shifted UV-absorptions both in solution and as films, compared with that of a model compound containing a single π-unit. This optical property is unique to H-aggregated π-units.

Tetrahedron Letters published new progress about 239075-02-6. 239075-02-6 belongs to alcohols-buliding-blocks, auxiliary class Thiophene,Boronic acid and ester,Boronate Esters, name is 5,5′-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2′-bithiophene, and the molecular formula is C20H28B2O4S2, Formula: C20H28B2O4S2.

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

Okamoto, Sentaro published the artcileSynthesis of folded H-stacking skipped π polymers consisting of different 2-substituted trimethylene tethering units and their optical and conductive property, Category: alcohols-buliding-blocks, the publication is Polymer (2021), 124037, database is CAplus.

A series of polymers P1-P4 ([-CH₂CH(Z)CH₂-(π conjugated unit)-]n, where Z = a bulky substituent) were synthesized via the Suzuki-Miyaura coupling polymerization and predominantly existed in their folded H-stacking form in the solution and film, which was evidenced by UV absorption, fluorescent behavior, and X-ray diffraction anal. The morphol. of the polymers in the solid states was dependent on the structure of the Z group present. The conductive nature of P1-P4 was preliminarily demonstrated on hole-only devices. Moreover, a similar onset voltage was observed for P1-P3, which all contained the same π units; however, their current-voltage characteristics were highly dependent on the Z structure. P4, which contained cross-conjugated π units, exhibited a relatively high conductivity with a lower onset requirement.

Polymer published new progress about 239075-02-6. 239075-02-6 belongs to alcohols-buliding-blocks, auxiliary class Thiophene,Boronic acid and ester,Boronate Esters, name is 5,5′-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2′-bithiophene, and the molecular formula is C20H28B2O4S2, Category: alcohols-buliding-blocks.

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

Dutta, Sansa published the artcileEngineered-membranes and engineered-micelles as efficient tools for purification of halorhodopsin and bacteriorhodopsin, Quality Control of 85618-21-9, the publication is Analyst (Cambridge, United Kingdom) (2015), 140(1), 204-212, database is CAplus and MEDLINE.

We describe two alternative and complementary purification methods for halorhodopsin and bacteriorhodopsin. The first relies on a unique form of detergent micelles which we have called engineered-micelles. These are specifically conjugated in the presence of [hydrophobic chelator:Fe²⁺] complexes and form detergent aggregates into which membrane proteins partition, but hydrophilic water-soluble proteins do not. The approach was tested on the membrane protein, bacteriorhodopsin (bR), with five non-ionic detergents (OG, OTG, NG, DM, and DDM), commonly used in purification and crystallization of membrane proteins, in combination with the com. available bathophenanthroline or with one of the three synthesized phenanthroline derivatives (Phen-C10, Phen-C8 and Phen-C6). Our results show that bR is extracted efficiently (60-86%) and directly from its native membrane into diverse detergent aggregates with preservation of its native conformation, while 90-95% of an artificial contaminating background is excluded. For implementation of the second method, based on engineered-membranes, the use of detergents, which in some cases may produce protein denaturation, is not required at all. Protein-containing membranes are conjugated via the same hydrophobic [chelator:metal ion] complexes but maintain the membrane protein in its native bilayer environment throughout the process. This method is demonstrated on the membrane protein halorhodopsin from Natronomonas pharaonis (phR) and leads to good recovery yields (74-89%) and removal of >85% of artificial background impurities while preserving the native state of phR. The detailed structure of the hydrophobic chelator used has been found to have a marked effect on the purity and yield of both methods.

Analyst (Cambridge, United Kingdom) published new progress about 85618-21-9. 85618-21-9 belongs to alcohols-buliding-blocks, auxiliary class Tetrahydropyran,Chiral,sulfides,Alcohol, name is (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(octylthio)tetrahydro-2H-pyran-3,4,5-triol, and the molecular formula is C14H28O5S, Quality Control of 85618-21-9.

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

West, F. G. published the artcileApplications of Stevens [1,2]-Shifts of Cyclic Ammonium Ylides. A Route to Morpholin-2-ones, Synthetic Route of 101-98-4, the publication is Journal of Organic Chemistry (1994), 59(20), 6051-6, database is CAplus.

2-(N,N-Dialkylamino)ethyl diazoacetoacetates I (R¹ = benzyl, alkyl, etc.; R² = Me, benzyl) were prepared in two steps from ethanolamines. When heated in the presence of catalytic Cu, the substrates cleanly formed morpholinones II (same R¹, R²), presumably via the intermediacy of copper carbenoids and cyclic ammonium ylides. In most cases involving benzylic or allylic migrating groups, ylide [1,2]-shift occurred in good yield (55-80%). Simple alkyl groups failed to undergo the rearrangement, with the exception of a tert-Bu substituted compound, which furnished morpholinone II (R¹ = tert-Bu, R² = Me) in 10% yield.

Journal of Organic Chemistry published new progress about 101-98-4. 101-98-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Benzene,Alcohol, name is 2-(Benzyl(methyl)amino)ethanol, and the molecular formula is C17H16O2, Synthetic Route of 101-98-4.

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

Nakamura, Itaru published the artcileThermally induced [2+2] cycloadditions of (benzyloxymethylene)cyclopropane with alkylidenemalononitriles, Computed Properties of 50915-29-2, the publication is European Journal of Organic Chemistry (2007), 4479-4482, database is CAplus.

The reaction of [(benzyloxy)methylene]cyclopropane (I) with alkylidenemalononitriles at ambient pressure afforded the corresponding spiro cyclobutane derivatives in good to high yields. For example, the reaction of I with benzylidenemalononitrile, [(2-naphthyl)methylene]malononitrile, and (tert-butylmethylene)malononitrile in acetonitrile at 80 °C gave the corresponding spiro[2.3]hexanes in 96, 96, and 91% yields, resp. Control experiments proved that the reaction proceeds via a well-stabilized zwitterionic intermediate.

European Journal of Organic Chemistry published new progress about 50915-29-2. 50915-29-2 belongs to alcohols-buliding-blocks, auxiliary class Cyclopropanes, name is (1-Bromocyclopropyl)methanol, and the molecular formula is C4H7BrO, Computed Properties of 50915-29-2.

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

Takahashi, Hiroto published the artcileRhodium(III)-Catalyzed Oxidative Intramolecular 1,1-Oxyamination of Alkenes with Protected Amino Acids to Produce Oxazoloisoindole-2,5-diones, Formula: C8H5F3O3, the publication is European Journal of Organic Chemistry (2021), 2021(12), 1891-1895, database is CAplus.

It has been established that an electron-deficient bis(ethoxycarbonyl)-substituted cyclopentadienyl (Cp^E) rhodium(III) complex catalyzes the oxidative intramol. 1,1-oxyamination of alkenes with N-benzoyl amino acids to produce oxazoloisoindole-2,5-diones. Exptl. and theor. mechanistic studies revealed that this oxidative 1,1-oxyamination proceeds via not the aza-Wacker reaction but the formation of a rhoda(III)oxazolidine initiated by the carboxylic acid-directed N-H bond cleavage.

European Journal of Organic Chemistry published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5IO, Formula: C8H5F3O3.

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

Kikugawa, Yasuo published the artcileIntramolecular Cyclization with Nitrenium Ions Generated by Treatment of N-Acylaminophthalimides with Hypervalent Iodine Compounds: Formation of Lactams and Spiro-Fused Lactams, Safety of 3,3,3-Trifluoropropan-1-ol, the publication is Journal of Organic Chemistry (2003), 68(17), 6739-6744, database is CAplus and MEDLINE.

In hexafluoroisopropyl alc., N-phthalimido-N-acylnitrenium ions, generated from N-acylamino phthalimides I [X = O, CH₂, (CH₂)₂, (CH₂)₃, OCH₂, etc.; R = H, 4-Me, 2-Cl, 4-MeO, 2,4-F₂, etc.] by treatment with hypervalent iodine compounds, phenyliodine bis(trifluoroacetate) (PIFA) or its 4-chloro-substituted derivative, underwent intramol. electrophilic substitution reactions to afford N-phthalimido azaheterocycles II in high yields. Treatment of I [X = OCH₂, (CH₂)₂, (CH₂)₃] with PIFA or [hydroxy(tosyloxy)iodo]benzene (HTIB) in 2,2,2-trifluoroethanol gave spirodienones, e.g. III, as a result of ipso attack of the intermediate nitrenium ion.

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, Safety of 3,3,3-Trifluoropropan-1-ol.

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

Iio, Takuya published the artcileFine-Bubble-Slug-Flow Hydrogenation of Multiple Bonds and Phenols, Product Details of C9H12O, the publication is Synlett (2020), 31(19), 1919-1924, database is CAplus.

A promising method for the continuous hydrogenation of alkenes or alkynes by using a newly developed fine-bubble generator is described. The fine-bubble-containing slug-flow system was up to 1.4 times more efficient than a conventional slug-flow method. When applied in the hydrogenation of phenols to the corresponding cyclohexanones, the fine bubble-slug-flow method suppressed over-reduction As this method does not require the use of excess gas, it is expected to be widely applicable in improving the efficiency of gas-mediated flow reactions.

Synlett 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, Product Details of C9H12O.

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

Collins, Ian published the artcileN-alkenyl nitrone dipolar cycloaddition routes to piperidines and indolizidines. Part 6. Allylic stereocontrol in the intramolecular cyclization of monosubstituted nitrones, Related Products of alcohols-buliding-blocks, the publication is Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) (1994), 2205-15, database is CAplus.

The intramol., thermal dipolar cycloadditions of the (Z)-N-alk-4-enyl nitrones I (R = OMe, MeOCH₂O, alkylsiloxy) bearing a single, allylic substituent were investigated. Certain alkoxy substituted nitrones I showed a remarkable preference for the formation of axially substituted isoxazolidines II (same R), whereas the Pr and trifluoromethyl substituted nitrones I (R = F₃C, Pr) gave equatorially substituted cycloadducts resp., consistent with the involvement of chair-like transition states.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about 83706-94-9. 83706-94-9 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethylated Building Blocks, name is (E)-4,4,4-Trifluorobut-2-en-1-ol, and the molecular formula is C4H5F3O, Related Products of alcohols-buliding-blocks.

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

van Laarhoven, Twan published the artcileGaussian interaction profile kernels for predicting drug-target interaction, Name: 2-Amino-2-(hydroxymethyl)propane-1,3-diol (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-3-methyloct-1-en-1-yl)cyclopentyl)hept-5-enoic acid, the publication is Bioinformatics (2011), 27(21), 3036-3043, database is CAplus and MEDLINE.

The in silico prediction of potential interactions between drugs and target proteins is of core importance for the identification of new drugs or novel targets for existing drugs. However, only a tiny portion of all drug-target pairs in current datasets are exptl. validated interactions. This motivates the need for developing computational methods that predict true interaction pairs with high accuracy. We show that a simple machine learning method that uses the drug-target network as the only source of information is capable of predicting true interaction pairs with high accuracy. Specifically, we introduce interaction profiles of drugs (and of targets) in a network, which are binary vectors specifying the presence or absence of interaction with every target (drug) in that network. We define a kernel on these profiles, called the Gaussian Interaction Profile (GIP) kernel, and use a simple classifier, (kernel) Regularized Least Squares (RLS), for prediction drug-target interactions. We test comparatively the effectiveness of RLS with the GIP kernel on 4 drug-target interaction networks used in previous studies. The proposed algorithm achieves area under the precision-recall curve (AUPR) up to 92.7, significantly improving over results of state-of-the-art methods. Moreover, we show that using also kernels based on chem. and genomic information further increases accuracy, with a neat improvement on small datasets. These results substantiate the relevance of the network topol. (in the form of interaction profiles) as source of information for predicting drug-target interactions.

Bioinformatics published new progress about 58551-69-2. 58551-69-2 belongs to alcohols-buliding-blocks, auxiliary class Chiral,Alkenyl,Amine,Aliphatic cyclic hydrocarbon,Ester,Alcohol,Inhibitor,, name is 2-Amino-2-(hydroxymethyl)propane-1,3-diol (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-3-methyloct-1-en-1-yl)cyclopentyl)hept-5-enoic acid, and the molecular formula is C17H16O2, Name: 2-Amino-2-(hydroxymethyl)propane-1,3-diol (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-3-methyloct-1-en-1-yl)cyclopentyl)hept-5-enoic acid.

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