Day: October 25, 2021

Recently I am researching about MEISENHEIMER COMPLEX-FORMATION; PHENOXIDE ION; SOFT ACIDS; NUCLEOPHILIC-ADDITION; ARYLOXIDE IONS; BASES HSAB; ALKYLATION; CARBON; KINETICS; OXYGEN, Saw an article supported by the Deutsche ForschungsgemeinschaftGerman Research Foundation (DFG) [SFB 749]; Fonds der Chemischen Industrie (Kekule fellowship)Fonds der Chemischen Industrie. SDS of cas: 98-17-9. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Mayer, RJ; Breugst, M; Hampel, N; Ofial, AR; Mayr, H. The CAS is 98-17-9. Through research, I have a further understanding and discovery of 3-(Trifluoromethyl)phenol

Prompted by the observation that the regioselectivities of phenolate reactions (C versus O attack) are opposite to the predictions by the principle of hard and soft acids and bases, we performed a comprehensive experimental and computational investigation of phenolate reactivities. Rate and equilibrium constants for the reactions of various phenolate ions with benzhydrylium ions (Aryl(2)CH(+)) and structurally related quinone methides have been determined photometrically in polar aprotic solvents. Quantum chemical calculations at the SMD(MeCN)/M06-2X/6-31+G(d,p) level confirmed that O attack is generally favored under kinetically controlled conditions, whereas C attack is favored under thermodynamically controlled conditions. Exceptions are diffusion limited reactions with strong electrophiles, which give mixtures of products arising from O and C attack, as well as reactions with metal alkoxides in nonpolar solvents, where oxygen attack is blocked by strong ion pairing. The Lewis basicity (LB) and nucleophilicity (N, s(N)) parameters of phenolates determined in this work can be used to predict whether their reactions with electrophiles are kinetically or thermodynamically controlled and whether the rates are activation-or diffusion-limited. Comparison of the measured rate constants for the reactions of phenolates with carbocations with the Gibbs energies for single electron transfer manifests that these reactions proceed via polar mechanisms.

SDS of cas: 98-17-9. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Mayer, RJ; Breugst, M; Hampel, N; Ofial, AR; Mayr, H or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Product Details of 100-51-6. In 2020 CHEM-ASIAN J published article about HYDROGEN-ATOM TRANSFER; METAL-OXO COMPLEXES; C-H OXIDATION; ELECTRON-TRANSFER; LIGANDS; DIHYDROXYLATION; IRON(IV)-OXO; IMPACT; WATER in [Dutta, Manali; Bania, Kusum K.; Pratihar, Sanjay] Tezpur Univ, Dept Chem Sci, Napaam 784028, Assam, India; [Pratihar, Sanjay] CSIR, Cent Salt & Marine Chem Res Inst, Inorgan Mat & Catalysis Div, GB Marg, Bhavnagar 364002, Gujarat, India in 2020, Cited 38. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6.

Herein we disclosed the use of a remote ‘imidazole’-based precatalyst [(para-cymene)Ru-II(L)Cl](+), C-1 where L=2-(4-substituted-phenyl)-1H-imidazo[4,5-f]([1,10]) phenanthroline) for the selective oxidation of a variety of alkyl arenes/heteroarenes and alcohols to their corresponding aldehydes or ketones in presence of tert-butyl hydroperoxide (TBHP). The remote ‘imidazole’ moiety present in the complex facilitates the activation of oxidant and subsequent generation of active species via the release of para-cymene from C-1, which in-turn was less effective without the ‘imidazole’ moiety. The mechanistic features of C-1 promoted oxidation of alkyl arenes were also assessed from spectroscopic, kinetic, and few control experiments. The substrate scope for C-1 promoted oxidation reaction was assessed based on the selective oxidation of 27-different alkyl arenes/heteroarenes and 25 different alcohols to their corresponding aldehydes/ketones in moderate to good yields.

Product Details of 100-51-6. About Benzyl Alcohol, If you have any questions, you can contact Dutta, M; Bania, KK; Pratihar, S or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An article An approach for the calculation of vaporization enthalpies of aromatic and heteroaromatic compounds at 298.15 K applicable to supercooled liquids WOS:000583948500144 published article about STANDARD MOLAR ENTHALPIES; NORMAL BOILING TEMPERATURE; VAPOR-PRESSURES; THERMODYNAMIC PROPERTIES; HEAT-CAPACITIES; THERMOCHEMICAL PROPERTIES; SUBLIMATION ENTHALPIES; PHASE-TRANSITIONS; ORGANIC-COMPOUNDS; SUBSTITUTED BENZENES in [Solomonov, Boris N.; Yagofarov, Mikhail, I] Kazan Fed Univ, Dept Phys Chem, Kremlevskaya Str 18, Kazan 420008, Russia in 2020, Cited 186. The Name is m-Methoxyphenol. Through research, I have a further understanding and discovery of 150-19-6. Quality Control of m-Methoxyphenol

An approach for the calculation of the vaporization enthalpies of aromatic and heteroaromatic compounds at T = 298.15 K with accuracy competitive with experiment was proposed. The vaporization enthalpies may be calculated from the solution enthalpies of liquid and solvation enthalpies in benzene. The solution enthalpies of liquids were shown to be constant within a given type of aromatic compounds. For a set of 67 liquid and 41 solid aromatic and heteroaromatic compounds not capable of intermolecular hydrogen bonding, it was experimentally demonstrated that the solution enthalpies of liquids or supercooled liquids in benzene were equal to 1 +/- 1 kJ . mol(-1). The way to consider intermolecular hydrogen bonding, e.g., in phenol, aniline, pyrrole derivatives, was also proposed. The methods for solvation enthalpy calculation were proposed previously. The calculated and literature vaporization enthalpies values of 415 aromatic and heteroaromatic compounds were compared. Average absolute deviation amounted to 1.3 kJ . mol(-1). The proposed approach is especially valuable for calculation of the vaporization enthalpies of low-volatile compounds, including those solid at T = 298.15 K. (C) 2020 Elsevier B.V. All rights reserved.

Quality Control of m-Methoxyphenol. About m-Methoxyphenol, If you have any questions, you can contact Solomonov, BN; Yagofarov, MI or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An article Enhanced Photocatalytic Activity of Aerogel Composed of Crooked Carbon Nitride Nanolayers with Nitrogen Vacancies WOS:000488322900037 published article about SELECTIVE AEROBIC OXIDATION; HYDROGEN EVOLUTION; AROMATIC ALCOHOLS; BENZYL ALCOHOL; G-C3N4; LIGHT; WATER; PHOSPHORUS; CATALYSTS; ELECTROCATALYST in [Zhang, Bing] Shenzhen Univ, Inst Microscale Optoelect, Int Collaborat Lab 2D Mat Optoelect Sci & Technol, Minist Educ, Shenzhen 518060, Peoples R China; [Zhao, Tian-Jian; Wang, Hong-Hui] Shanghai Jiao Tong Univ, Sch Chem & Chem Engn, Shanghai 200240, Peoples R China in 2019.0, Cited 67.0. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6. Recommanded Product: 100-51-6

Self-supported aerogel composed of carbon nitride nanolayers can act as a bifunctional photocatalyst and show enhanced photoreduction and photooxidation performance due to the large surface areas and nitrogen vacancies. The carbon nitride aerogel can catalyze hydrogen evolution at a rate of nearly 4.2 mmol h(-1) g(-1) and oxidize benzyl alcohols with a high conversion efficiency and selectivity under milder conditions. Note that the activity of carbon nitride aerogel for photochemical alcohol oxidation shows outstanding performance compared with carbon nitride based photocatalysts. Both density functional theory and experimental results demonstrate that the introduction of nitrogen vacancies within the carbon nitride aerogel contributes to the formation of a crooked structure and enhanced adsorption of oxygen compared with a bulk sample.

Recommanded Product: 100-51-6. About Benzyl Alcohol, If you have any questions, you can contact Zhang, B; Zhao, TJ; Wang, HH or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

I found the field of Plant Sciences; Pharmacology & Pharmacy; Integrative & Complementary Medicine very interesting. Saw the article Barringtogenol C-type Triterpenoid Saponins from the Stem Bark of Norway Maple ( Acer Platanoides ) published in 2020.0. Name: Benzyl Alcohol, Reprint Addresses Li, LY (corresponding author), Northeastern Univ, Coll Life & Hlth Sci, Inst Microbial Pharmaceut, 195 Chuangxin Rd, Shenyang 110819, Liaoning, Peoples R China.; Ma, H (corresponding author), Univ Rhode Isl, Coll Pharm, Dept Biomed & Pharmaceut Sci, Bioact Bot Res Lab, 7 Greenhouse Rd, Kingston, RI 02881 USA.. The CAS is 100-51-6. Through research, I have a further understanding and discovery of Benzyl Alcohol

Four new barringtogenol C-type triterpenoid saponins, namely acerplatanosides A – D ( 1 – 4 ), along with 22 known compounds ( 5 – 26 ), were isolated from the stem bark of Norway maple ( Acer platanoides ). Their structures were elucidated on the basis of comprehensive spectroscopic analyses and chemical hydrolysis. This is the first report of triterpenoid saponins isolated from Norway maple. Compounds 1, 3 , and 4 showed cytotoxicity against 4 human cancer cell lines with IC (50) values ranging from 9.4 to 39.5 mu M.

Name: Benzyl Alcohol. About Benzyl Alcohol, If you have any questions, you can contact Xu, W; Zhang, L; Omar, R; Liu, W; Wei, ZX; Zhang, ZG; Mu, Y; Seeram, NP; Huang, XS; Ma, H; Li, LY or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Authors Ghaffarian, F; Ghasemzadeh, MA; Aghaei, SS in ELSEVIER published article about METAL-ORGANIC FRAMEWORKS; ONE-POT SYNTHESIS; MULTICOMPONENT SYNTHESIS; 3-COMPONENT SYNTHESIS; NANOPARTICLES; ANTIOXIDANT; ACID; MOFS in [Ghaffarian, Fatemeh; Ghasemzadeh, Mohammad Ali] Islamic Azad Univ, Dept Chem, Qom Branch, Qom, Iran; [Aghaei, Seyyed Soheil] Islamic Azad Univ, Dept Microbiol, Qom Branch, Qom, Iran in 2019.0, Cited 53.0. Recommanded Product: 100-83-4. The Name is 3-Hydroxybenzaldehyde. Through research, I have a further understanding and discovery of 100-83-4

( )Curcumin (bis-alpha,beta-unsaturated beta-diketone) is a low molecular weight hydrophobic polyphenol isolated from Curcuma longa. Curcumin has attracted significant recent consideration due to its medicinal and pharmacological properties. In this research pyrano[2,3-d]pyrimidine-2,4(3H)-dione derivatives were prepared in excellent yields and short reaction times by a one-pot multi-component cyclocondensation of curcumin, substituted aromatic aldehydes and barbituric acid in the presence of CoFe2O4@OCMC@Cu(BDC) nanostructure as an effective and robust catalyst. The CoFe2O4 functionalized OCMC@Cu(BDC) is introduced as a new, strong and efficient catalyst for the synthesis of a variety of heterocyclic compounds. The catalyst was perfectly characterized by various spectroscopy methods such as Fouriertransform infrared spectroscopy (FT-IR), Energy-dispersive X-ray (EDX), Scanning electron microscope (SEM), X-ray diffraction (XRD) and N2 adsorption-desorption isotherm (BET). Furthermore, the heterocyclic compounds were fully characterized by different spectral techniques including FT-IR, (HNMR)-H-1, (CNMR)-C-13. The magnetic catalyst could be easily recycled and reused for seven runs with a slightly decrease in its activity. (C) 2019 Elsevier B.V. All rights reserved.

Recommanded Product: 100-83-4. About 3-Hydroxybenzaldehyde, If you have any questions, you can contact Ghaffarian, F; Ghasemzadeh, MA; Aghaei, SS or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

In 2019.0 ARCH PHARM published article about COUMARIN DERIVATIVES; BIOLOGICAL EVALUATION; OXIDATIVE STRESS; TARGETING ACETYLCHOLINESTERASE; ANTICHOLINESTERASE ACTIVITY; DESIGN; DISEASE; PHTHALIMIDE in [Kara, Jiraporn; Suwanhom, Paptawan; Lomlim, Luelak] Prince Songkla Univ, Fac Pharmaceut Sci, Dept Pharmaceut Chem, 15 Karnjanavanich Rd, Hat Yai 90112, Songkhla, Thailand; [Wattanapiromsakul, Chatchai; Puripattanavong, Jindaporn] Prince Songkla Univ, Fac Pharmaceut Sci, Dept Pharmacognosy & Pharmaceut Bot, Hat Yai, Thailand; [Nualnoi, Teerapat] Prince Songkla Univ, Fac Pharmaceut Sci, Dept Pharmaceut Technol, Hat Yai, Songkhla, Thailand; [Khongkow, Pasarat] Prince Songkla Univ, Inst Biomed Engn, Fac Med, Hat Yai, Thailand; [Lee, Vannajan Sanghiran] Univ Malaya, Dept Chem, Fac Sci, Kuala Lumpur, Malaysia; [Gaurav, Anand] UCSI Univ, Fac Pharmaceut Sci, Dept Pharmaceut Chem, Kuala Lumpur, Malaysia in 2019.0, Cited 38.0. The Name is m-Methoxyphenol. Through research, I have a further understanding and discovery of 150-19-6. SDS of cas: 150-19-6

Sixteen novel coumarin-based compounds are reported as potent acetylcholinesterase (AChE) inhibitors. The most active compound in this series, 5a (IC50 0.04 +/- 0.01 mu M), noncompetitively inhibited AChE with a higher potency than tacrine and galantamine. Compounds 5d, 5j, and 5m showed a moderate antilipid peroxidation activity. The compounds showed cytotoxicity in the same range as the standard drugs in HEK-293 cells. Molecular docking demonstrated that 5a acted as a dual binding site inhibitor. The coumarin moiety occupied the peripheral anionic site and showed p-p interaction with Trp278. The tertiary amino group displayed significant cation-p interaction with Phe329. The aromatic group showed p-p interaction with Trp83 at the catalytic anionic site. The long chain of methylene lay along the gorge interacting with Phe330 via hydrophobic interaction. Molecular docking was applied to postulate the selectivity toward AChE of 5a in comparison with donepezil and tacrine. Structural insights into the selectivity of the coumarin derivatives toward huAChE were explored by molecular docking and 3D QSAR and molecular dynamics simulation for 20 ns. ADMET analysis suggested that the 2-(2-oxo-2H-chromen-4-yl)acetamides showed a good pharmacokinetic profile and no hepatotoxicity. These coumarin derivatives showed high potential for further development as anti-Alzheimer agents.

About m-Methoxyphenol, If you have any questions, you can contact Kara, J; Suwanhom, P; Wattanapiromsakul, C; Nualnoi, T; Puripattanavong, J; Khongkow, P; Lee, VS; Gaurav, A; Lomlim, L or concate me.. SDS of cas: 150-19-6

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

I found the field of Chemistry very interesting. Saw the article Synthesis, structure, characterization and biological evaluation of 3-substituted 1-pyridin-2-ylimidazo[1,5-a]pyridine-based copper(I)-phosphine complexes for anticancer drug screening published in 2021. COA of Formula: C9H10O3, Reprint Addresses Velusamy, M (corresponding author), North Eastern Hill Univ, Dept Chem, Shillong 793022, Meghalaya, India.; Murali, M (corresponding author), Natl Coll Autonomous, Dept Chem, Coordinat & Bioinorgan Chem Res Lab, Tiruchirappalli 620001, Tamil Nadu, India.. The CAS is 120-14-9. Through research, I have a further understanding and discovery of 3,4-Dimethoxybenzaldehyde

Copper(I) complexes of the types [Cu(N-N)(PPh3)(2)]NO3(LC41-LC44) and [Cu(N-N)(PPh3)(NO3)] (LC45) carrying 3-substituted 1-pyridine-2-ylimidazo[1,5-a]pyridine (N-N) derivatives and triphenylphosphine (PPh3) ligands have been prepared. The synthesized copper(I)-phosphine complexes were fully characterized by NMR, IR, ESI-MS and UV-visible spectroscopy as well as by cyclic voltammetry. Selected structures such as LC42, LC43 and LC45 were additionally analysed by single-crystal X-ray method, which show that copper(I) centre adopts a highly distorted tetrahedral geometry. The(1)H and(13)C NMR spectral data of the complexes throw light on the nature of metal-ligand bonding. They display d pi-pi* metal-to-ligand charge transfer (MLCT) transition and show quasireversible Cu-I/Cu(II)metal oxidation. Among the copper(I)-phosphine complexes, LC41-LC44 exhibit moderate cytotoxicity (IC50: 24 h, 67-74 mu M; 48 h, 58-70 mu M) against human lung epithelial adenocarcinoma A549 cells, whereas LC45 displays the best activity (IC50: 24 h, 42 mu M; 48 h, 34 mu M) for A549 cancer cell line, which is better than that of the commercial antitumor drug cisplatin. All the complexes also displayed excellent selectivity by being relatively inactive against the human lung epithelial L132 normal cell line with selectivity index (SI) values ranging from 3.4 to 7.4. The complexes block cell cycle progression of A549 cells in G(0)/G(1)phase. FACSVerse analyses are suggestive of reactive oxygen species (ROS) generation and apoptotic cell death induced by the LC41, LC43 and LC45. The induction of apoptosis in A549 cells was shown by Annexin V with propidium iodide (PI) and 4 ‘,6-diamidino-2-phenylindole (DAPI) staining methods and established the ability of LC41, LC43 and LC45 to accumulate in the cell nuclei.

About 3,4-Dimethoxybenzaldehyde, If you have any questions, you can contact Pathaw, L; Khamrang, T; Selvakumaran, B; Murali, M; Prakash, PA; Jaabir, MSM; Velusamy, M or concate me.. COA of Formula: C9H10O3

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

I found the field of Chemistry very interesting. Saw the article An efficient base and H(2)O(2)free protocol for the synthesis of phenols in water and oxygen using spinel CuFe(2)O(4)magnetic nanoparticles published in 2020.0. Recommanded Product: 99-93-4, Reprint Addresses Chetia, B (corresponding author), Dibrugarh Univ, Dept Chem, Dibrugarh 786004, Assam, India.. The CAS is 99-93-4. Through research, I have a further understanding and discovery of 4′-Hydroxyacetophenone

An efficient base and H(2)O(2)free protocol was used for the synthesis of phenols from boronic acids using biogenic CuFe(2)O(4)magnetic nanoparticles as catalyst at room temperature in water and oxygen. The catalyst was prepared using the flowers ofLantana camara. The size of the nanoparticles was 4.27 nm. Base free and ligand free protocol, less time, excellent yields, room temperature, biogenic synthesis of the catalyst, use of O(2)as an environmentally friendly oxidant are the advantages of the present protocol. The recyclability of the catalyst was for 5 cycles without loss of magnetic property or catalytic activity.

About 4′-Hydroxyacetophenone, If you have any questions, you can contact Chutia, R; Chetia, B or concate me.. Recommanded Product: 99-93-4

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Formula: C7H8O2. Duncan, LF; Wang, GQ; Ilyichova, OV; Scanlon, MJ; Heras, B; Abbott, BM in [Duncan, Luke F.; Abbott, Belinda M.] La Trobe Univ, La Trobe Inst Mol Sci, Dept Chem & Phys, Melbourne, Vic 3086, Australia; [Wang, Geqing; Heras, Begona] La Trobe Univ, La Trobe Inst Mol Sci, Dept Biochem & Genet, Melbourne, Vic 3086, Australia; [Ilyichova, Olga, V; Scanlon, Martin J.] Monash Univ, Monash Inst Pharmaceut Sci, Med Chem, 381 Royal Parade, Parkville, Vic 3052, Australia; [Scanlon, Martin J.] Monash Univ, ARC Training Ctr Fragment Based Design, Monash Inst Pharmaceut Sci, 381 Royal Parade, Parkville, Vic 3052, Australia published The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors in 2019.0, Cited 42.0. The Name is m-Methoxyphenol. Through research, I have a further understanding and discovery of 150-19-6.

A fragment-based drug discovery approach was taken to target the thiol-disulfide oxidoreductase enzyme DsbA from Escherichia coli (EcDsbA). This enzyme is critical for the correct folding of virulence factors in many pathogenic Gram-negative bacteria, and small molecule inhibitors can potentially be developed as anti-virulence compounds. Biophysical screening of a library of fragments identified several classes of fragments with affinity to EcDsbA. One hit with high mM affinity, 2-(6-bromobenzofuran-3-yl)acetic acid (6), was chemically elaborated at several positions around the scaffold. X-ray crystal structures of the elaborated analogues showed binding in the hydrophobic binding groove adjacent to the catalytic disulfide bond of EcDsbA. Binding affinity was calculated based on NMR studies and compounds 25 and 28 were identified as the highest affinity binders with dissociation constants (K-D) of 326 +/- 25 and 341 +/- 57 mu M respectively. This work suggests the potential to develop benzofuran fragments into a novel class of EcDsbA inhibitors.

About m-Methoxyphenol, If you have any questions, you can contact Duncan, LF; Wang, GQ; Ilyichova, OV; Scanlon, MJ; Heras, B; Abbott, BM or concate me.. Formula: C7H8O2

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles