Month: December 2022

Yao, Yan published the artcileElectrochemical Synthesis of Quinazolinones by the Metal-Free and Acceptor-Free Dehydrogenation of 2-Aminobenzamides, Formula: C8H6ClF3, the publication is Synlett (2020), 31(18), 1795-1799, database is CAplus.

An efficient approach has been developed for the construction of quinazolin-4(3H)-ones by the selective anodic dehydrogenative oxidation/cyclization of benzylic chlorides and 2-aminobenzamides [e.g., 2-aminobenzamide + benzyl chloride → 2-phenylquinazolin-4(3H)-one I (80%) employing RVC as anode, Pt as cathode, Bu₄NBF₄ as electrolyte and MeCN as solvent in undivided cell at constant current of 10mA at 80°]. The method features acceptor-free and metal-free dehydrogenation of amines to imines; a subsequent intermol. addition provides the products in moderate to good yields.

Synlett published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C7H16ClNO2, Formula: C8H6ClF3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Zhang, Guang-Wu published the artcileCatalytic Enantioselective Alkynylation of Trifluoromethyl Ketones: Pronounced Metal Fluoride Effects and Implications of Zinc-to-Titanium Transmetalation, Category: chlorides-buliding-blocks, the publication is Angewandte Chemie, International Edition (2011), 50(15), 3538-3542, S3538/1-S3538/84, database is CAplus and MEDLINE.

Trifluoromethyl ketones were alkynylated stereoselectively in presence of cinchona alkaloid ligands, titanium tetraisopropoxide, dimethylzinc, and barium fluoride. The barium fluoride proved to be essential for asym. induction. The mechanism of zinc-to-titanium transmetalation is discussed.

Angewandte Chemie, International Edition published new progress about 5860-95-7. 5860-95-7 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Benzene,Ketone, name is 1-(2-Chlorophenyl)-2,2,2-trifluoroethanone, and the molecular formula is C5H8N2O, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Steingruber, H. Sebastian published the artcileConvenient One-Pot Synthesis of 9H-Carbazoles by Microwave Irradiation Employing a Green Palladium-Based Nanocatalyst, HPLC of Formula: 117738-74-6, the publication is Synthesis (2021), 53(21), 4048-4058, database is CAplus.

An efficient palladium-catalyzed tandem reaction for the one-pot synthesis of 9H-carbazoles under microwave irradiation was developed. This approach involves a sequential Buchwald-Hartwig amination and a direct arylation from affordable and inexpensive anilines and 1,2-dihaloarenes. For the development of this purpose, a novel and magnetically recoverable palladium nanocatalyst-supported on a green biochar under ligand-free conditions was used. Compared to other existing palladium-based protocols, the present synthetic methodol. shows a drastic reduction in reaction times and excellent compatibility with different functional groups allowing to obtain a small library of 9H-carbazoles in high yields and with good regioselectivity. This procedure represents the first example in the direct synthesis of carbazoles using a heterogeneous palladium nanocatalyst from com. precursors. To examine the application of this protocol, a direct and scalable synthesis of the bioactive carbazole alkaloid clausenalene from com. available starting materials was described.

Synthesis published new progress about 117738-74-6. 117738-74-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Benzene,Ester, name is Methyl 4-bromo-3-chlorobenzoate, and the molecular formula is C4H3Cl2N3, HPLC of Formula: 117738-74-6.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Sanad, Sherif M. H. published the artcileTandem synthesis, cytotoxicity, and in silico study of new 1,3,4-oxadiazoles as potential thymidylate synthase inhibitors, Recommanded Product: Sodium chloro(tosyl)amide trihydrate, the publication is Archiv der Pharmazie (Weinheim, Germany), database is CAplus and MEDLINE.

A new series of pyrrole-linked mono- and bis(1,3,4-oxadiazole) hybrids I [R = H, Me, Cl, etc.] and II [R¹ = -PhO(CH₂)₂OPh-, -PhO(CH₂)₃OPh-, -PhO(CH₂)₄OPh-, etc.], attached to various arene units, was prepared using a two-step tandem protocol. Therefore, a benzohydrazide derivative was condensed with the appropriate aldehydes RCHO in ethanol at 80°C for 60-150 min to give the corresponding N-(benzoylhydrazones). Without isolation, the previous intermediates underwent intramol. oxidative cyclization in DMSO at 180°C for 90-200 min in the presence of chloramine trihydrate to afford the target hybrids I. The cytotoxicity of all hybrids was examined in vitro against the MCF-7, HEPG2 and Caco2 cell lines. Arene-linked hybrids I [R = NO2, 4-acetoxy], were the most potent ones, with IC₅₀ values ranging from 5.47 to 8.80 and 12.75 to 21.22 μM, resp., when tested on the above cell lines. At the tested concentrations of 5 and 7.5 μM, hybrid I [R = 4-nitro] inhibited thymidylate synthase (TS) with the best inhibition percentages of 72.3 and 91.3, whereas hybrid I [R = 4-acetoxy] displayed comparable inhibitory activity to the reference pemetrexed. Hybrid I [R = 4-acetoxy] had inhibition percentages of 62.7 and 82.6, whereas pemetrexed had inhibition percentages of 59.2 and 80.2, resp. The capability of hybrids I [R = 4-nitro, 4-acetoxy] as potential TS inhibitors was supported by mol. docking studies, while SwissADME predicts their efficacy as drug-like scaffolds.

Archiv der Pharmazie (Weinheim, Germany) published new progress about 7080-50-4. 7080-50-4 belongs to chlorides-buliding-blocks, auxiliary class Halogenation Reagent,Inhibitor, name is Sodium chloro(tosyl)amide trihydrate, and the molecular formula is C7H13ClNNaO5S, Recommanded Product: Sodium chloro(tosyl)amide trihydrate.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Jansen, Johan F. G. A. published the artcileThe Dendritic Box: Shape-Selective Liberation of Encapsulated Guests, Name: 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride, the publication is Journal of the American Chemical Society (1995), 117(15), 4417-18, database is CAplus.

Several guests have been encapsulated in a dendritic box. The maximum number of guests is determined by the shape and size of cavities and guests. Shape-selective liberation of guests with different sizes is achieved by the hydrolysis of the shell in a two-step process. First the shell is perforated by the hydrolysis of the protecting N-t-BOC groups of the L-Phe end group, furnishing the liberation of small guests (p-nitrophenol, p-nitro-benzoic acid or an EPR probe) upon dialysis. The larger guests–bengal rose, rhodamine, new coccine and methylene violet 3RAX–still being imprisoned in the box with a perforated shell, are liberated by subsequent hydrolysis of the amide groups. By changing the amino acid and the protected groups used, it is possible to tune the shape-selectivity in the liberation of guests of different size.

Journal of the American Chemical Society published new progress about 4569-86-2. 4569-86-2 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride, and the molecular formula is C22H23ClN4, Name: 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Cui, J. Jean published the artcileDiscovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (c-MET) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol (PF-04217903) for the Treatment of Cancer, COA of Formula: C8H7ClO3, the publication is Journal of Medicinal Chemistry (2012), 55(18), 8091-8109, database is CAplus and MEDLINE.

The c-MET receptor tyrosine kinase is an attractive oncol. target because of its critical role in human oncogenesis and tumor progression. An oxindole hydrazide hit 6 (VI) was identified during a c-MET HTS campaign and subsequently demonstrated to have an unusual degree of selectivity against a broad array of other kinases. The cocrystal structure of the related oxindole hydrazide c-MET inhibitor 10 (X) with a nonphosphorylated c-MET kinase domain revealed a unique binding mode associated with the exquisite selectivity profile. The chem. labile oxindole hydrazide scaffold was replaced with a chem. and metabolically stable triazolopyrazine scaffold using structure based drug design. Medicinal chem. lead optimization produced 2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol (2, II, PF-04217903), an extremely potent and exquisitely selective c-MET inhibitor. 2 Demonstrated effective tumor growth inhibition in c-MET dependent tumor models with good oral PK properties and an acceptable safety profile in preclin. studies. 2 Progressed to clin. evaluation in a Phase I oncol. setting.

Journal of Medicinal Chemistry published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, COA of Formula: C8H7ClO3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Pitre, Spencer P. published the artcileLibrary of Cationic Organic Dyes for Visible-Light-Driven Photoredox Transformations, Application In Synthesis of 4569-86-2, the publication is ACS Omega (2016), 1(1), 66-76, database is CAplus and MEDLINE.

Organic dyes can be excellent catalysts for photoredox chem., offering low price, low toxicity, and an exceptional range of available materials. Their use has been limited because in comparison to their transition-metal catalysts the spectroscopic, kinetic, and electrochem. information available is far more limited. To remediate this situation, we have determined the necessary data for 14 readily available dyes with excellent potential as photoredox catalysts. We have also demonstrated the utility of these dyes through visible-light-mediated reductive dehalogenation and Aza-Henry reactions. We envision that this collection of data will lead to an increase in the use of cationic dyes in photoredox processes because users will find the necessary information readily available.

ACS Omega published new progress about 4569-86-2. 4569-86-2 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride, and the molecular formula is C22H23ClN4, Application In Synthesis of 4569-86-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Zhebentyaev, A. I. published the artcileInteraction between biologically active quaternary ammonium salts and eosine dyes, Application of N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, the publication is Zhurnal Analiticheskoi Khimii (1987), 42(3), 518-24, database is CAplus.

In order to determine optimal conditions for spectrophotometric determination of biol. active quaternary ammonium compounds (QAC), complex formation of QAC with eosine  [17372-87-1] was studied. The monocharged dye anions, having an ionized group, were the most reactive. The chem. nature of QAC is discussed. QAC solutions obeyed the basic light absorption law. The method is applied to determination of QAC in dosage forms from a citrate buffer solution by measuring the absorbance of the eosine complex at 540 nm.

Zhurnal Analiticheskoi Khimii published new progress about 38146-42-8. 38146-42-8 belongs to chlorides-buliding-blocks, auxiliary class Achiral Phase-Transfer Catalysts, name is N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, and the molecular formula is C26H45N5O7Si2, Application of N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Huynh, Uyen published the artcileFormation, Alkylation, and Hydrolysis of Chiral Nonracemic N-Amino Cyclic Carbamate Hydrazones: An Approach to the Enantioselective α-Alkylation of Ketones, Application of ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, the publication is Journal of Organic Chemistry (2018), 83(21), 12951-12964, database is CAplus and MEDLINE.

The α-alkylation of ketones is a fundamental synthetic transformation. The development of asym. variants of this reaction is important given that numerous natural products, drugs, and related compounds exist as α-functionalized ketones or derivatives thereof. Authors previously reported preliminary studies on the development of a new enantioselective ketone α-alkylation procedure using N-amino cyclic carbamate (ACC) auxiliaries. In comparison to other auxiliary-based methods, ACC alkylation offers a number of advantages and is both highly enantioselective and high yielding. Herein, authors provide a full account of their studies on the enantioselective ACC ketone α-alkylation method.

Journal of Organic Chemistry published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Application of ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Khalili, Gholamhossein published the artcileSynthesis and density functional theory studies of azirinyl and oxiranyl functionalized isoindigo and (3Z,3’Z)-3,3′-(ethane-1,2-diylidene)bis(indolin-2-one) derivatives, HPLC of Formula: 21286-54-4, the publication is Molecules (2019), 24(20), 3649pp., database is CAplus and MEDLINE.

A series of functionalized isoindigo compounds I (X = O, MeSO₂N, PhSO₂N, etc.) were synthesized in moderate yields by reaction of isoindigo with (S)-glycidyl tosylate, epibromohydrin or 2-(bromomethyl)-1-(aryl(or alkyl)sulfonyl)aziridines in the presence of MeONa under mild conditions. (3Z,3’Z)-3,3′-(Ethane-1,2-diylidene)bis(indolin-2-one), with an extended central olefin π-conjugated moiety, was also reacted with glycidyl tosylate and epibromohydrin to give the corresponding N,N’-disubstituted derivative II. Calculations with DFT and TD-DFT of hypothetical isoindigo-thiophene DA mols. with various electron withdrawing substituents, including aziridine, oxirane, nitrile, carbonyl, and sulfonate, indicated that the proximity and strength of the functional group have a significant effect on the HOMO, LUMO, vertical excitation energy and oscillator strength of the π-π* transitions.

Molecules published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, HPLC of Formula: 21286-54-4.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics