Month: October 2022

《Modeling temperature dependent and absolute carbamate stability constants of amines for CO2 capture》 was published in International Journal of Greenhouse Gas Control in 2020. These research results belong to Gupta, Mayuri; Svendsen, Hallvard F.. Electric Literature of C3H9NO The article mentions the following:

Thermodn. properties and carbamate stability constants (Kc) for a dataset of 25 amines and alkanolamines, with desirable post combustion CO2 capture (PCC) solvent properties, have been studied extensively employing various gaseous phase calculations and solvation models. A comprehensive study of gaseous phase free energy and enthalpy is carried out using d. functional methods [B3LYP/6-311++G(d,p)], and composite methods (G3MP2B3, G3MP2, G4MP2 and CBS-QB3). Implicit solvation models (PCM, SM8T and DivCon) and the Explicit Solvation Shell Model (ESS) were used to study solvation free energy of various neutral and ionic species present in the amine-carbamate formation reaction. Temperature dependent carbamate stability constants are calculated for the carbamate formation reaction of amines and alkanolamines to better understand the effect of temperature on temperature swing absorption-desorption PCC processes. The temperature dependency of Kc was compared against available exptl. data. In the part of experimental materials, we found many familiar compounds, such as 3-Aminopropan-1-ol(cas: 156-87-6Electric Literature of C3H9NO)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Hydrogen peroxide (H2O2) and peroxy acids generally add an oxygen atom to the nitrogen of amines. With primary amines, this step is normally followed by further oxidation, leading to nitroso compounds, RNO, or nitro compounds, RNO2. Secondary amines are converted to hydroxylamines, R2NOH, and tertiary amines to amine oxides, R3NO.Electric Literature of C3H9NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Photodynamic Control of the Chain Length in Supramolecular Polymers: Switching an Intercalator into a Chain Capper》 was written by Weyandt, Elisabeth; ter Huurne, Gijs M.; Vantomme, Ghislaine; Markvoort, Albert J.; Palmans, Anja R. A.; Meijer, E. W.. SDS of cas: 26153-38-8 And the article was included in Journal of the American Chemical Society in 2020. The article conveys some information:

Supramol. systems are intrinsically dynamic and sensitive to changes in mol. structure and external conditions. Because of these unique properties, strategies to control polymer length, composition, comonomer sequence, and morphol. have to be developed for sufficient control over supramol. copolymerizations We designed photoresponsive, mono acyl hydrazone functionalized benzene-1,3,5-tricarboxamide (m-BTA) monomers that play a dual role in the coassembly with achiral alkyl BTAs (a-BTA). In the E isomer form, the chiral m-BTA monomers intercalate into stacks of a-BTA and dictate the chirality of the helixes. Photoisomerization to the Z isomer transforms the intercalator into a chain capper, allowing dynamic shortening of chain length in the supramol. aggregates. We combine optical spectroscopy and light-scattering experiments with theor. modeling to show the reversible decrease in length when switching from the E to Z isomer of m-BTA in the copolymer with inert a-BTA. With a mass-balance thermodn. model, we gain addnl. insights into the composition of copolymers and length distributions of the species over a broad range of concentrations and mixing ratios of a-BTA/m-BTA. Moreover, the model was used to predict the impact of an additive (chain capper and intercalator) on the chain length over a range of concentrations, showing a remarkable amplification of efficiency at high concentrations By employing a stimuli-responsive comonomer in a mostly inert polymer, we can cooperatively amplify the effect of the switching and obtain photocontrol of polymer length. Moreover, this dynamic decrease in chain length causes a macroscopic gel-to-sol phase transformation of the copolymer gel, although 99.4% of the organogel is inert to the light stimulus. In the experiment, the researchers used many compounds, for example, 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

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Developing Luminescent Ratiometric Thermometers Based on a Covalent Organic Framework (COF)》 was written by Kaczmarek, Anna M.; Liu, Ying-Ya; Kaczmarek, Mariusz K.; Liu, Hengshuo; Artizzu, Flavia; Carlos, Luis D.; Van Der Voort, Pascal. HPLC of Formula: 34374-88-4 And the article was included in Angewandte Chemie, International Edition in 2020. The article conveys some information:

Covalent Organic Frameworks (COFs), an emerging class of crystalline porous materials, are proposed as a new type of support for grafting lanthanide ions (Ln3+) and employing these hybrid materials as ratiometric luminescent thermometers. A TpBpy-COF-prepared from 1,3,5-triformylphloroglucinol (Tp) and 2,2′-bipyridine-5,5′-diamine (Bpy) grafted with Eu/Tb and Dy acetylacetone (acac) complexes can be successfully used as a luminescent thermometer in the 10-360 K (Eu) and 280-440 K (Tb) ranges with good sensing properties (thermal sensitivity up to 1.403% K-1, temperature uncertainty δT<1 K above 110 K). For the Eu/Tb systems, we observe an unusual and rarely reported behavior, i.e., no thermal quenching of the Tb3+ emission, a result of the absence of ion-to-ligand/host energy back-transfer. The LnCOF materials proposed here could be a new class of materials employed for temperature-sensing applications following up on the well-known luminescent metal-organic framework thermometers. After reading the article, we found that the author used 2,4,6-Trihydroxybenzene-1,3,5-tricarbaldehyde(cas: 34374-88-4HPLC of Formula: 34374-88-4)

2,4,6-Trihydroxybenzene-1,3,5-tricarbaldehyde(cas: 34374-88-4) is a member of phloroglucinol derivatives. Regarding monomeric phloroglucinols, this group encompasses acryl phloroglucinols, phloroglucinol-terpene adducts, phloroglucinol glycosides, halogenated phloroglucinols, prenylated phloroglucinols, and cyclicroup polyketides.HPLC of Formula: 34374-88-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Discovery of a novel class of covalent dual inhibitors targeting the protein kinases BMX and BTK》 was written by Forster, Michael; Liang, Xiaojun Julia; Schroeder, Martin; Gerstenecker, Stefan; Chaikuad, Apirat; Knapp, Stefan; Laufer, Stefan; Gehringer, Matthias. Reference of Oxetan-3-ol And the article was included in International Journal of Molecular Sciences in 2020. The article conveys some information:

Here a novel class of dual BMX/BTK inhibitors, which were designed from irreversible inhibitors of Janus kinase (JAK) 3 targeting a cysteine located within the solvent-exposed front region of the ATP binding pocket was presented. Structure-guided design exploiting the differences in the gatekeeper residues enabled the achievement of high selectivity over JAK3 and certain other kinases harboring a sterically demanding residue at this position. The most active compounds inhibited BMX and BTK with apparent IC50 values in the single digit nanomolar range or below showing moderate selectivity within the TEC family and potent cellular target engagement. These compounds represent an important first step towards selective chem. probes for the protein kinase BMX. The experimental part of the paper was very detailed, including the reaction process of Oxetan-3-ol(cas: 7748-36-9Reference of Oxetan-3-ol)

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.Reference of Oxetan-3-ol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Boyko, Yaroslav D.; Huck, Christopher J.; Ning, Shang; Shved, Alexander S.; Yang, Cheng; Chu, Tiffany; Tonogai, Emily J.; Hergenrother, Paul J.; Sarlah, David published an article in 2021. The article was titled 《Synthetic studies on selective, proapoptotic isomalabaricane triterpenoids aided by computational techniques》, and you may find the article in Journal of the American Chemical Society.COA of Formula: C13H26B2O4 The information in the text is summarized as follows:

The isomalabaricanes comprise a large family of marine triterpenoids with fascinating structures that have been shown to be selective and potent apoptosis inducers in certain cancer cell lines. In this article, we describe the successful total syntheses of the isomalabaricanes Stelletin A, Stelletin E, and Rhabdastrellic acid A, as well as the development of a general strategy to access other natural products within this unique family. High-throughput experimentation and computational chem. methods were used in this endeavor. A preliminary structure-activity relationship study of Stelletin A revealed the trans-syn-trans core motif of the isomalabaricanes to be critical for their cytotoxic activity. In addition to this study using Bis[(pinacolato)boryl]methane, there are many other studies that have used Bis[(pinacolato)boryl]methane(cas: 78782-17-9COA of Formula: C13H26B2O4) was used in this study.

Bis[(pinacolato)boryl]methane(cas: 78782-17-9) belongs to organoboron compounds. Organoboron compounds are versatile intermediates and as such are some of the most important classes of reagents in modern organic chemistry. This stems from their ease of preparation combined with their ability to undergo a broad range of chemical transformations.COA of Formula: C13H26B2O4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In 2022,Eshaghi Gorji, Zahra; Ebrahimpoor Gorji, Ali; Riahi, Siavash published an article in Chemical Engineering Research and Design. The title of the article was 《A structure-property model for the prediction of pKa values of different amines in the CO2 capture process of concern to the prediction of thermodynamic properties》.Computed Properties of C3H9NO2 The author mentioned the following in the article:

In this study, Quant. Structure-Property Relationship (QSPR) method has been applied on a dataset including the pKa values of 21 different structures (20 amines and ammonia) at four temperatures in the post-combustion-capture process using QSARINS. QSPR models have been accomplished in two situations, called fixed and unfixed temperatures In the fixed temperatures, four predictive models with one descriptor have been sep. developed at each temperature Besides, thermodn. properties have been calculated by the van′t Hoff equation using predicted pKa values. In the unfixed temperatures, two general models were developed which take into account the effects of mol. structure and temperature, simultaneously. The predicted pKa values and calculated Gibbs free energy have a good consistency with related values in the literature. The reliability of each developed model has been examined using external assessments. The values of some statistical parameters such as R2 = 0.89 and AARD% = 2.68 verify the prediction capability of models. In the experimental materials used by the author, we found 2-Aminopropane-1,3-diol(cas: 534-03-2Computed Properties of C3H9NO2)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. The reaction of alkyl halides, R―X, where X is a halogen, or analogous reagents with ammonia (or amines) is useful with certain compounds. Not all alkyl halides are effective reagents; the reaction is sluggish with secondary alkyl groups and fails with tertiary ones. Its usefulness is largely confined to primary alkyl halides (those having two hydrogen atoms on the reacting site).Computed Properties of C3H9NO2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In 2022,Hashimoto, Hisashi; Ueda, Yoshihiro; Takasu, Kiyosei; Kawabata, Takeo published an article in Angewandte Chemie, International Edition. The title of the article was 《Catalytic Substrate-Selective Silylation of Primary Alcohols via Remote Functional-Group Discrimination》.COA of Formula: C4H11NO The author mentioned the following in the article:

Silylation of alcs. has generally been known to take place at the sterically most accessible less-hindered hydroxy group. Herein, the catalyst-controlled substrate-selective silylation of primary alcs., in which the selectivity was controlled independently of the innate reactivity of the hydroxy group, based on the steric environment, is reported. The chain-length-selective silylation of 1,n-amino alc. derivatives was achieved and 1,5-amino alc. derivatives showed outstandingly high reactivity in the presence of analogs with a shorter or longer chain length under catalyst-controlled conditions. A highly substrate-selective catalytic silylation of pentanol analogs was also developed, in which the remote functionality at C(5) from the reacting hydroxy groups was effectively discriminated on silylation.4-Aminobutan-1-ol(cas: 13325-10-5COA of Formula: C4H11NO) was used in this study.

4-Aminobutan-1-ol(cas: 13325-10-5) is used in the synthesis of NSAIDs with anti-inflammatory properties. Also used in the synthesis of polyamine transport ligands with specificity against human cancers allowing easy access to specific cancer cells.COA of Formula: C4H11NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In 2022,Kwon, Na Yeon; Kim, Youngseo; Kataria, Meenal; Park, Su Hong; Cho, Seunguk; Harit, Amit Kumar; Woo, Han Young; Cho, Min Ju; Park, Sungnam; Choi, Dong Hoon published an article in Macromolecules (Washington, DC, United States). The title of the article was 《Donor-σ-Acceptor Dyad-Based Polymers for Portable Sensors: Controlling Photoinduced Electron Transfer via Tuning the Frontier Molecular Orbital Energies of Acceptors》.Product Details of 4048-33-3 The author mentioned the following in the article:

In this study, we synthesized three novel aromatic imide-based conjugated donor(D)-σ-acceptor (A) dyad-based polymers showing different photophys. properties. These D-σ-A dyad-based polymers (e.g., BDTBT-NI, BDTBT-NDI, and BDTBT-PDI) consist of the same conjugated donor main chains (benzodithiophene-bithiophene (BDTBT)) and side chains bearing different imide acceptors (naphthalimide (NI), naphthalene diimide (NDI), or perylenediimide (PDI)). The photophys. and electrochem. characteristics of the three polymers were studied using various methods, including UV-visible absorption, steady-state fluorescence, and time-resolved fluorescence experiments as well as cyclic voltammetry. As the acceptor strength of the side chain was increased, photoinduced electron transfer from the donor backbone to the acceptor side-chain moiety was found to occur more effectively. Among the three polymers, BDTBT-PDI was found to be used as an efficient extractor and portable naked-eye sensing probe for Fe2+ ions; notably, it exhibited a “”turn-on”” fluorescence response with a detection limit at a picomolar concentration The BDTBT-PDI:Fe2+ complex was also used for ultrasensitive detection of spermine (with a Stern-Volmer constant of 6.7 × 106 M-1) in urine samples and was established as an efficient portable test kit for the real-time detection of spermine in the vapor released from fermented food samples. Finally, the “”on-off”” fluorescence behavior of BDTBT-PDI in the presence of Fe2+ and spermine enabled us to develop mol. logic gates using this polymer. In the part of experimental materials, we found many familiar compounds, such as 6-Aminohexan-1-ol(cas: 4048-33-3Product Details of 4048-33-3)

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

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Product Details of 89466-08-0In 2019 ,《Palladium-Catalyzed Directed meta-Selective C-H Allylation of Arenes: Unactivated Internal Olefins as Allyl Surrogates》 appeared in Angewandte Chemie, International Edition. The author of the article were Achar, Tapas Kumar; Zhang, Xinglong; Mondal, Rahul; Shanavas, M. S.; Maiti, Siddhartha; Maity, Sabyasachi; Pal, Nityananda; Paton, Robert S.; Maiti, Debabrata. The article conveys some information:

Palladium(II)-catalyzed meta-selective C-H allylation of arenes RC6H4(CH2)nXR1 [R = H, 3-Me, 3-Br, 4-F, etc.; R1 = 2-(pyrimidin-5-yl)phenoxy, 2-(pyridin-3-yl)phenoxy, 2-(8-nitroquinolin-3-yl)phenoxy, etc.; X = SO2, C(O), Si(i-Pr)2, CH2; n = 1-4] including 2-(pyrimidin-5-yl)phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has been developed utilizing synthetically inert unactivated acyclic internal olefins R2CH2CH=CHCH2R3 [R2 = Me, Et, n-Pr, pentyl, etc.; R3 = Me, COOMe, [[(1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy]carbonyl, etc.] as allylic surrogates. The strong σ-donating and π-accepting ability of pyrimidine-based directing group facilitates the olefin insertion by overcoming inertness of the typical unactivated internal olefins. Exclusive allyl over styrenyl products, e.g., (E)-I selectivity as well as E stereoselectivity were achieved with broad substrate scope, wide functional-group tolerance, and good to excellent yields. Late-stage functionalizations of pharmaceuticals were demonstrated. Exptl. and computational studies shed light on the mechanism and point to key steric control in the palladacycle, thus determining product selectivities. The experimental process involved the reaction of 2-Hydroxyphenylboronic acid(cas: 89466-08-0Product Details of 89466-08-0)

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. Product Details of 89466-08-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

SDS of cas: 100-55-0In 2021 ,《Synthesis of bioactive quinoline acting as anticancer agents and their mode of action using in silico analysis towards Aurora kinase A inhibitors》 appeared in Chemical Data Collections. The author of the article were Narasimhamurthy, Kereyagalahally H.; Guruswamy, Dileep Kumar M.; Chandra; Kallesha, Nichhapurada; Basappa; Rangappa, Kanchugarakoppal S.. The article conveys some information:

In the present investigation, novel quinolines have been synthesized and analyzed for their invitro cytotoxic activity against human colon cancer and lung cancer cells. Among the newly synthesized quinoline derivatives, 2-(3-chlorophenyl)-6,7-dimethoxyquinoline (Q6) showed considerable cytotoxic activity against human colon cancer (HCT116) and lung cancer (A549) cell lines with IC50 values of 25.5 ± 2.7 and 32 ± 4.7 μM resp. Since these quinolines interacted with an Aurora kinase A, we carried out the mol. docking investigation and observed that this quinoline displayed inhibitory potentials. Overall, the compound Q6 was well suited to develop a newer quinolines-based anticancer medication, especially to block cell cycle arrest through Aurora kinase A inhibitors in human cancer.3-Pyridinemethanol(cas: 100-55-0SDS of cas: 100-55-0) was used in this study.

3-Pyridinemethanol(cas: 100-55-0) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. SDS of cas: 100-55-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts