Month: November 2022

In 2022,Luo, Xu-Feng; Ni, Hua-Xiu; Ma, Hui-Li; Qu, Zhong-Ze; Wang, Jie; Zheng, You-Xuan; Zuo, Jing-Lin published an article in Advanced Optical Materials. The title of the article was 《Fused π-Extended Multiple-Resonance Induced Thermally Activated Delayed Fluorescence Materials for High-Efficiency and Narrowband OLEDs with Low Efficiency Roll-Off》.Computed Properties of C6H7BO3 The author mentioned the following in the article:

The simultaneous achievement of multiple-resonance thermally activated delayed fluorescence (MR-TADF) materials with strong narrowband emission and efficient reverse intersystem crossing (RISC) process can further promote the advancement of organic light-emitting diodes (OLEDs). Herein, a new strategy is proposed to achieve two π-extended MR-TADF emitters (NBO and NBNP) peaking at 487 and 500 nm via fusing conjugated high-triplet-energy units (carbazole, dibenzofuran) into boron-nitrogen (B/N) framework, aiming to increase charge transfer delocalization of the B/N skeleton and minimize singlet-triplet energy gap (ΔEST). This strategy endows the two emitters with full width at half maximum of 27 and 29 nm, and high photoluminescence efficiencies above 90% in doped films, resp. Addnl., considerable rate constants of RISC are obtained due to the small ΔEST (0.12 and 0.09 eV) and large spin-orbital coupling values. Consequently, the OLEDs based on NBO and NBNP show the maximum external electroluminescence quantum efficiency of up to 26.1% and 28.0%, resp., accompanied by low-efficiency roll-off. These results provide a feasible design strategy to construct efficient MR-TADF materials for OLEDs with suppressed efficiency roll-off. In the experiment, the researchers used 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

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In 2022,Rahali, Seyfeddine; Belhocine, Youghourta; Allal, Hamza; Bouhadiba, Abdelaziz; Assaba, Ibtissem Meriem; Seydou, Mahamadou published an article in Structural Chemistry. The title of the article was 《A DFT investigation of the host-guest interactions between boron-based aromatic systems and β-cyclodextrin》.Formula: C12H17BO2 The author mentioned the following in the article:

D. functional theory calculations including dispersion at BLYP-D3(BJ)/def2-SVP level of theory were performed for a series of systems based on cyclodextrin complexation with boron-based aromatic compounds Elaborated investigations were carried out using different quantum chem. parameters such as computed complexation energies, theor. association constants, and natural bond orbital (NBO) anal. Several configurations and inclusion modes were considered in this work. The calculated complexation energies were consistent with the exptl. classification of these systems on the basis of occurring interactions. Reduced d. gradient (RDG) and independent gradient model (IGM) approaches determined the nature and strength of non-covalent interactions which played a central role in the formation of the complexes. Thus, phenylboronic acid (PBA) and benzoxaborole (Bxb) act mainly as hydrogen-bonded complexes with β-cyclodextrin, while mainly Van der Waals (vdW) interactions stabilize both catechol (PhBcat) and pinacol esters of phenylboronic acid (PhBpin) complexes. The ferroceneboronic acid (FcBA) exhibits a mixture of H-bonds and vdW interactions with β-cyclodextrin. In the part of experimental materials, we found many familiar compounds, such as 4,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane(cas: 24388-23-6Formula: C12H17BO2)

4,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane(cas: 24388-23-6) can be used to prepare sulfinamide derivatives by reacting with diethylaminosulfur trifluoride (DAST) and potassium phenyltrifluoroborate.Formula: C12H17BO2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In 2022,Li, Xiaohua; He, Qiuqin; Fan, Renhua published an article in Organic Chemistry Frontiers. The title of the article was 《Divergent synthesis of 4-amino indoles with free amine groups via tandem reaction of 2-alkynylanilines》.Reference of trans-4-Aminocyclohexanol The author mentioned the following in the article:

A process for the divergent synthesis of a variety of 4-amino indoles I [R = Ph, 3-MeC6H4, 4-ClC6H4, etc.; R2 = Me, Et, Ph, etc.; R3 = H, i-Pr, CH2CH2OH, etc.; R4 = H, n-hexyl, cyclopentyl, etc.] having N1 or C4 free amine groups via via tandem reaction of 2-alkynylanilines with amines was reported. This process involved an oxidative dearomatization, an imine exchange, a cascade 1,4-addition/cyclization/aromatization, and a selective deprotection. The formed 4-amino indoles could be converted to 4,7-difunctionalized indoles II [R5 = i-Pr, CH(Me)(Et), CHPh, etc.; R6 = H, C(O)OMe, C(O)OEt; R7 = CH2(2,4-di-MeOC6H3), CH(C(O)Ph)(CH2C(O)Ph), CH(Ph)(OH)(CF3), etc.] via selective Friedel-Crafts alkylation. After reading the article, we found that the author used trans-4-Aminocyclohexanol(cas: 27489-62-9Reference of trans-4-Aminocyclohexanol)

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. To avoid the problem of multiple alkylation, methods have been devised for “blocking” substitution so that only one alkyl group is introduced. The Gabriel synthesis is one such method; it utilizes phthalimide, C6H4(CO)2NH, whose one acidic hydrogen atom has been removed upon the addition of a base such as KOH to form a salt.Reference of trans-4-Aminocyclohexanol

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In 2022,Farag, Ahmed Karam; Ahn, Byung Sun; Yoo, Je Sik; Karam, Reham; Roh, Eun Joo published an article in Bioorganic Chemistry. The title of the article was 《Design, synthesis, and biological evaluation of pseudo-bicyclic pyrimidine-based compounds as potential EGFR inhibitors》.Name: 4-Aminobutan-1-ol The author mentioned the following in the article:

Cancer is one of the most dangerous diseases harvesting millions of lives every year globally, which mandates the development of new therapies. In this report, we designed and synthesized a novel series of compounds based on the structure of lapatinib and AF8c, a compound we developed and reported previously, to target EGFR kinase. The series was assayed against a panel of 60 cancer cell lines at the National Cancer Institute (NCI). Compounds 4a, 4f, 4 g, and 4 l showed high efficacy against melanoma, colon, and blood cancers, with 4a being the most effective. The evaluation of the potency of 4a against the 60 cell lines in a five-dose assay revealed a significant potency compared to lapatinib against melanoma, colon, and blood cancers. In vitro enzyme assay over 30 kinases showed significant potency against EGFR and high selectivity to EGFR among the tested kinases. A mol. modeling study of 4a and lapatinib inside the pockets of EGFR revealed that both compounds bind strongly inside the ATP-binding pocket of the EGFR kinase domain. Therefore, we present 4a as a novel EGFR kinase inhibitor with potent in vitro cellular activity against diverse types of cancer cells. In addition to this study using 4-Aminobutan-1-ol, there are many other studies that have used 4-Aminobutan-1-ol(cas: 13325-10-5Name: 4-Aminobutan-1-ol) 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.Name: 4-Aminobutan-1-ol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthetic Route of C6H15NOIn 2021 ,《Semi-Interpenetrating Polymer Network Electrolytes Based on a Spiro-Twisted Benzoxazine for All-Solid-State Lithium-Ion Batteries》 appeared in ACS Applied Energy Materials. The author of the article were Lee, Jen-Yu; Yu, Tsung-Yu; Chung, Pei-Hsuan; Lee, Wen-Ya; Yeh, Shih-Chieh; Wu, Nae-Lih; Jeng, Ru-Jong. The article conveys some information:

A spiro-twisted benzoxazine, namely, 6,6′-(6,6,6′,6′-tetramethyl-6,6′,7,7′-tetrahydro-2H,2′H-8,8′-spirobi[indeno[5,6-e][1,3]oxazin]-3,3′(4H,4′H)-diyl)bis(hexan-1-ol) (TSBZ6D), was successfully developed as a semi-interpenetrating polymer network (s-IPN) matrix for solid polymer electrolytes (SPEs). The designed spiro-twisted mol. structure of TSBZ6D constitutes an SPE matrix with a high fractional free volume that facilitates the transport of lithium ions. In the meantime, its crosslinking network structure enables a remarkable enhancement in the mech. properties of SPEs. When combined with poly(ethylene oxide) (PEO) electrolytes, the TSBZ6D s-IPN imparts an enhancement of >300 and 1100% in tensile stress and in tensile strain, resp., to the PEO-TSBZ6D (PT) composite SPEs over the PEO/lithium salt sample. Electrochem. testing of sym. Li/PT/Li cells indicates the effectiveness of PT SPEs in mitigating the short-circuiting problem caused by Li dendrite formation. We demonstrated that a specific capacity of 166 mAh g-1 (0.1 C) at 80 °C and a promising cycle stability have been achieved by an all-solid-state LiFePO4/PT/Li. The experimental process involved the reaction of 6-Aminohexan-1-ol(cas: 4048-33-3Synthetic Route of C6H15NO)

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.Synthetic Route of C6H15NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

HPLC of Formula: 6381-59-5In 2013 ,《Kinetics of thermal decomposition of potassium sodium tartrate tetrahydrate》 appeared in Asian Journal of Chemistry. The author of the article were Wang, Xinfang. The article conveys some information:

Kinetic analyses were performed on potassium sodium tartrate tetrahydrate (KNaC4H4O6.4H2O) using TG/DTA measurement in N2. The thermal behavior and the effect of heating rate on the kinetics were investigated. To estimate the activation energy E of decomposition, the Ozawa and Kissinger iso-conversional method were applied. All stages of dehydration are governed by nucleation model F1 [g(α) = (1-α)-1]. The experimental part of the paper was very detailed, including the reaction process of Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate(cas: 6381-59-5HPLC of Formula: 6381-59-5)

Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate(cas: 6381-59-5) is a ferroelectric crystal with a high piezoelectric effect and electromechanical coupling coefficient. HPLC of Formula: 6381-59-5 Potassium sodium tartrate tetrahydrate has been used in the preparation of Lowry reagent for the determination of microsomal protein concentration in rat hepatic microsomes by Lowry method.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Application of 89466-08-0In 2021 ,《Ni, Pd, and Pt complexes of a tetradentate dianionic thiosemicarbazone-based ONNS ligand》 appeared in Dalton Transactions. The author of the article were Haseloer, Alexander; Denkler, Luca Mareen; Jordan, Rose; Reimer, Max; Olthof, Selina; Schmidt, Ines; Meerholz, Klaus; Hoerner, Gerald; Klein, Axel. The article conveys some information:

New tetradentate phenolate ONNS thiosemicarbazone (TSC) ligands and their Ni(II), Pd(II) and Pt(II) complexes were studied. The diamagnetic and square planar configured orange or red complexes show reversible reductive electrochem. and in part reversible oxidative electrochem. at very moderate potentials. DFT calculations show essentially pyridyl-imine centered lowest unoccupied MOs (LUMO) while the highest occupied MOs (HOMO) receive contributions from the phenolate moiety, the metal d orbitals and the TSC thiolate atom in keeping with UV-visible spectroelectrochem. DFT calculations in conjunction with IR spectra showed details of the mol. structures, the UV-visible absorptions were modelled through TD-DFT calculation with very high accuracy. UPS is fully consistent with UV-visible absorption and TD-DFT calculated data and shows decreasing HOMO-LUMO gaps along the series Pd > Pt > Ni. The results came from multiple reactions, including the reaction of 2-Hydroxyphenylboronic acid(cas: 89466-08-0Application 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. Application of 89466-08-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Formula: C3H6O2In 2021 ,《Recent advances in Bcr-Abl tyrosine kinase inhibitors for overriding T315I mutation》 appeared in Chemical Biology & Drug Design. The author of the article were Liu, Juan; Zhang, Yuan; Huang, Honglin; Lei, Xiaoyong; Tang, Guotao; Cao, Xuan; Peng, Junmei. The article conveys some information:

A review. BCR-ABL is a gene produced by the fusion of the bcr gene and the c-abl proto-oncogene and is considered to be the main cause of chronic myelogenous leukemia (CML) production Therefore, the development of selective Bcr-Abl kinase inhibitors is an attractive strategy for the treatment of CML. However, in the treatment of CML with a Bcr-Abl kinase inhibitor, the T315I gatekeeper mutant disrupts the important contact interaction between the inhibitor and the enzyme, resistant to the first- and second-generation drugs currently approved, such as imatinib, bosutinib, nilotinib, and dasatinib. In order to overcome this special resistance, several different strategies have been explored, and many mols. have been studied to effectively inhibit Bcr-Abl T315I. Some of these mols. are still under development, and some are being studied preclinically, and still others are in clin. research. Herein, this review reports some of the major examples of third-generation Bcr-Abl inhibitors against the T315I mutation. In the experiment, the researchers used many compounds, for example, Oxetan-3-ol(cas: 7748-36-9Formula: C3H6O2)

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.Formula: C3H6O2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Related Products of 27489-62-9In 2018 ,《α-Diimines as Versatile, Derivatizable Ligands in Ruthenium(II) p-Cymene Anticancer Complexes》 was published in Inorganic Chemistry. The article was written by Biancalana, Lorenzo; Batchelor, Lucinda K.; Funaioli, Tiziana; Zacchini, Stefano; Bortoluzzi, Marco; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio. The article contains the following contents:

Ruthenium half-sandwich η6-p-cymene cationic diimine complexes [(η6-cymene)RuCl(RN:CHCHNR)][NO3] (R = Cy, 4-HOC6H10, 4-HOC6H4, 2-MeCO2C6H4OCOC6H4, 4-C7H15OCOC6H4) were prepared and examined for cytotoxicity and antitumor activity. α-Diimines are among the most robust and versatile ligands available in synthetic coordination chem., possessing finely tunable steric and electronic properties. A series of novel cationic ruthenium(II) p-cymene complexes bearing simple α-diimine ligands, [(η6-p-cymene)RuCl{κ2N-(HCNR)2}]NO3 (1-3; R = Cy, 4-C6H10OH, 4-C6H4OH), were prepared in near-quant. yields as their nitrate salts. [2]NO3 displays high water solubility The potential of the α-diimine ligand in [3]NO3 as a carrier of bioactive mols. was investigated via esterification reactions with the hydroxyl groups. Thus, the double-functionalized derivatives [(η6-p-cymene)RuCl{κ2N-(HCN(4-C6H4OCO-R))2}]NO3 (4, 5, 6; R = Me, 2-MeCO2C6H4, 4-C7H15) were obtained in good-to-high yields. UV-vis and multinuclear NMR spectroscopy and cyclic voltammetric studies in aqueous solution revealed only minor ruthenium chloride hydrolytic cleavage, biol. accessible reduction potentials, and pH-dependent behavior of [3]NO3. D. functional theory anal. was performed in order to compare the Ru-Cl bond strength in [1]+ with the analogous ethylenediamine complex, showing that the higher stability observed in the former is related to the electron-withdrawing properties of the α-diimine ligand. In vitro cytotoxicity studies were performed against tumorigenic (A2780 and A2780cisR) and nontumorigenic (HEK-293) cell lines, with the complexes bearing simple α-diimine ligands ranging from inactive to IC50 values in the low micromolar range. The complexes functionalized with bioactive components, i.e., [5]NO3 and [6]NO3, exhibited a marked increase in the cytotoxicity with respect to the precursor [3]NO3.trans-4-Aminocyclohexanol(cas: 27489-62-9Related Products of 27489-62-9) was used in this study.

trans-4-Aminocyclohexanol(cas: 27489-62-9) 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.Related Products of 27489-62-9

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Safety of (4-Bromophenyl)methanolIn 2020 ,《Ruthenium(II) Complexes of Heteroditopic N-Heterocyclic Carbene Ligands: Efficient Catalysts for C-N Bond Formation via a Hydrogen-Borrowing Strategy under Solvent-Free Conditions》 was published in Inorganic Chemistry. The article was written by Donthireddy, S. N. R.; Mathoor Illam, Praseetha; Rit, Arnab. The article contains the following contents:

Both imidazol-2-ylidene (ImNHC) and 1,2,3-triazol-5-ylidene (tzNHC) have evolved to be elite groups of N-heterocyclic carbene (NHC) ligands for homogeneous catalysis. To develop efficient Ru(II)-based catalysts incorporating these ligands for C-N bond-forming reactions via H-borrowing methodol., the authors used chelating ligands integrated with ImNHC and mesoionic tzNHC donors connected via a CH2 spacer with a diverse triazole backbone. The synthesized Ru(II) complexes 3 are highly efficient for C-N bond formation across a wide range of primary amine and alc. substrates under solvent-free conditions, and among all of the complexes studied here, catalyst 3a with a mesityl substituent displayed maximum activity. Catalyst 3a is also effective for the selective mono-N-methylation of various anilines using MeOH as a coupling partner, known to be relatively more difficult than other alcs. Also, complex 3a also delivers various substituted quinolines successfully via the reaction of 2-aminobenzyl alc. with several secondary alcs. Importantly, catalyst 3a exhibited the highest activity among the reported Ru(II) complexes for both the N-benzylation of aniline [achieving a turnover number (TON) of 50000] and the realization of quinoline 8a by reacting 2-aminobenzyl alc. with 2-phenylethanol (attaining a TON of 30000). The significance of electronic tuning in the Ru(II) complexes of chelating ligands featuring a combination of ImNHC and tzNHC donors with various triazole backbones is demonstrated by applying them in diverse C-N bond-forming reactions via a H-borrowing strategy. Notably, the Ru(II) complex 3a having an N-mesityl substituent displayed the highest activity among known Ru(II) complexes for both the N-benzylation of aniline [a turnover number (TON) of 50000] and the synthesis of quinoline via the reaction of 2-aminobenzyl alc. with 2-phenylethanol (a TON of 30000). In the experimental materials used by the author, we found (4-Bromophenyl)methanol(cas: 873-75-6Safety of (4-Bromophenyl)methanol)

(4-Bromophenyl)methanol(cas: 873-75-6) undergoes three-component reaction with acetylferrocene and arylboronic acid to give ferrocenyl ketones containing biaryls.Safety of (4-Bromophenyl)methanol It is used in the synthesis of amphiphilic, symmetric rod-coil, triblock copolymer of poly(9,9-didodecylfluorene-2,7-diyl) and poly(hydroxyl ethyl methacrylate)

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts