Tag: M.W=100-150

Mohammad Shafiee, M. R. published the artcileHighly Efficient and Green Synthesis of Indole and Benzofuran Derivatives via Electrochemical Methods under ECECCC Mechanism, Name: 2-Cyano-N-ethylacetamide, the publication is Journal of the Electrochemical Society (2017), 164(13), G105-G111, database is CAplus.

Electrochem. synthesis of novel benzofuran and indole derivatives was carried out by the electrochem. oxidation of hydroquinone, 4-aminophenol and p-phenylenediamine in the presence of cyanoacetamide and 2-cyano-n-ethylacetamide as nucleophiles in a phosphate buffer solution (PBS) mixed with ethanol as a green solvent using cyclic voltammetry, controlled-potential coulometry, and UV-spectroscopy methods. The oxidized form of hydroquinone, 4-aminophenol, and p-phenylenediamine participate in the 1,4-Michael addition reactions with cyanoacetamides via the ECECCC mechanism for the electrochem. synthesis of new benzofuran and indole derivatives with good yield and high purity under controlled potential conditions. In this method, a carbon rod was used as the anode and the use of toxic and/or hazardous reagents was avoided. The obtained products were characterized after purification by the FTIR, ¹HNMR, ¹³C NMR and elemental anal. The present work led to the development of a facile and environmentally friendly reagent-less electrochem. method with high atom economy and safer waste under green conditions.

Journal of the Electrochemical Society published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C5H8N2O, Name: 2-Cyano-N-ethylacetamide.

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

Gamidi, Rama Krishna published the artcileAnalysis and Artificial Neural Network Prediction of Melting Properties and Ideal Mole fraction Solubility of Cocrystals, Computed Properties of 1453-82-3, the publication is Crystal Growth & Design (2020), 20(9), 5745-5759, database is CAplus.

Different artificial neural network (ANN) models have been developed and examined for prediction of cocrystal properties based on pure component phys. properties only. From the mol. weight, melting temperature, melting enthalpy, and melting entropy of the pure compounds, the corresponding melting properties of the cocrystals and the cocrystal ideal solubility have been successfully predicted. Notably, no information whatsoever about the cocrystals is needed, besides the identification of the two compounds from which the cocrystal is formed. In total, 30 cocrystal systems of 8 different model components, namely, theophylline, piracetam, gabapentin-lactam, tegafur, nicotinamide, salicylic acid, syringic acid, and 4,4′-bipyridine, with distinct coformers have been chosen as the model systems for the construction of ANN models. In all the cases, 70% of the data points have been used to train the model, and the rest were used to test the capability of the model (as a validation set) as selected through a random selection process. The training process was stopped with overall r² values above 0.986. In particular, the models capture how the coformer structure influences the targeted phys. properties of cocrystals. Different artificial neural network models have been developed and examined for prediction of cocrystal properties based on pure component phys. properties only. From the mol. weight, melting temperature, melting enthalpy, and melting entropy of the pure compounds, the corresponding melting properties of the cocrystals and the cocrystal ideal solubility have been successfully predicted. The training process was stopped for all the five models with overall r² values above 0.986. In particular, the models capture how the coformer structure influences the targeted phys. properties of cocrystals.

Crystal Growth & Design published new progress about 1453-82-3. 1453-82-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is Isonicotinamide, and the molecular formula is C6H6N2O, Computed Properties of 1453-82-3.

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

Zarudnitskii, E. V. published the artcileC-phosphorylation of 2-dialkylaminothiazole and imidazo[2,1-b]thiazole derivatives, Formula: C5H10N2OS, the publication is Ukrainskii Khimicheskii Zhurnal (Russian Edition) (2002), 68(11-12), 38-42, database is CAplus.

Phosphorylation of 2-dialkylaminothiazole derivatives with PCl₃, Ph₂PCl and Ph₂PBr was studied. Reaction of 2-diethylaminothiazole with R₂PCl gave 2-Et₂N-5-PR₂(C₃HNS) (2 R = Cl, 3 R = Ph). Phosphination of Et 2-diethylaminothiazolecarboxylate (4) with Ph₂PBr gave 5-PPh₂ derivative (5), which was hydrolyzed to free acid (6). Thiazoleacetates 2-R₂N(C₃HNS)-4-CH₂COOEt were also phosphinated in position 5 to give 2-R₂N(C₃NS)-4-CH₂COOEt-5-PPh₂ (8a–c, R = Me, Et, or R₂N = morpholino), which were hydrolyzed to free acids (9a–c). In contrast to esters of 2-dialkylamino-4-thiazoleacetic acids, Et ester of 6-imidazo[2,1-b]thiazoleacetic acid undergoes C-phosphination with Ph₂PCl both at heterocycle and at methylene group.

Ukrainskii Khimicheskii Zhurnal (Russian Edition) published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C8H11NO, Formula: C5H10N2OS.

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

Noufele, Christelle Njiki published the artcileUranyl Complexes with Aroylbis(N,N-dialkylthioureas), SDS of cas: 14294-10-1, the publication is Inorganic Chemistry (2018), 57(19), 12255-12269, database is CAplus and MEDLINE.

The reaction of isophthaloylbis(N,N-diethylthiourea), H₂L¹, with UO₂(CH₃COO)₂·2H₂O and NEt₃ as a supporting base gives a tetranuclear, anionic complex [{UO₂(L¹)}₄(OAc)₂]^2-, in which the uranyl ions are S,O-chelate bonded. Each two of them are addnl. linked by an acetato ligand. Similar reactions of various uranyl starting materials (uranyl acetate, uranyl nitrate, (NBu₄)₂[UO₂Cl₄]) with corresponding pyridine-centered ligands (pyridine-2,6-dicarbonylbis(N,N-dialkylthioureas), H₂L²) yield mononuclear, neutral compounds, in which the thiourea derivatives are coordinated as S,N,N,N,S-five-dentate chelators. The equatorial coordination spheres of the formed hexagonal bipyramidal complexes [UO₂(L²)(solv)] are completed by solvent ligands (H₂O, MeOH, or DMF). Attempted reactions without a supporting base result in decomposition of the organic ligands and the formation of hexanuclear uranyl complexes with pyridine-2,6-dicarboxylato ligands, while the use of an excess of base results in condensation and the formation of dinuclear [{UO₂(L²)(μ-OMe)}₂]^2- complexes. A stable complex [UO₂(L³)] results from reactions of common uranyl starting materials with 2,2′-bipyridine-6,6′-dicarbonylbis(N,N-diethylthiourea) (H₂L³). The equatorial coordination sphere of the neutral, hexagonal bipyramidal complex is occupied by an SN₄S donor atom set, which is provided by the hexadentate organic ligand. While the uranium complexes with {L¹}^2- and {L²}^2- are labile and rapidly decompose in acidic solutions, [UO₂(L³)] is stable over a wide pH range, and the ligand readily extracts uranyl ions from aqueous solutions into organic solvents.

Inorganic Chemistry published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, SDS of cas: 14294-10-1.

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

Pandey, Jyotsna published the artcileComplexation of silver(I) with morpholinylthiocarbonic acid amide and its use as an amperometric reagent for trace determination of silver(I), Application In Synthesis of 14294-10-1, the publication is Journal of the Indian Chemical Society (1987), 64(10), 649-51, database is CAplus.

The IR spectrum of the complex formed between Ag(I) and (4-morpholinyl)thiocarbonic acid amide (I) was examined The determination of trace amounts of Ag by amperometric titration at pH 2.86 with I was studied. The min. amount of Ag that could be determined was 0.05 mg/10 mL; the error and standard deviation were <±0.9 and <±0.1%, resp. Diverse ion effect was studied.

Journal of the Indian Chemical Society published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, Application In Synthesis of 14294-10-1.

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

Modi, Visha P. published the artcileStudies on synthesis, characterization and solvatochromic effect of novel tris(heteroaryl)bisazo dyes for dyeing polyester fabric, Product Details of C5H8N2O, the publication is Elixir Online Journal (2012), 7192-7201, database is CAplus.

In the present communication novel tris(hetroaryl)bisazo dyes were synthesized by the coupling of various heterocyclic diazonium salt with 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-((4-phenylthiazol-2-yl)diazenyl)-1,2-dihydropyridine-3-carbonitrile. The later compound was synthesized by a new procedure for the synthesis of well known azo pyridone dyes from 2-cyano-N-ethylacetamide, ethyl-3-oxobutanoate and 4-aryl-2-aminothaizole. Structural confirmation of all the synthesized compounds have been accomplished by UV-Visible, FT-IR, 1H-NMR,13C-NMR and mass spectroscopic techniques. Solvent effects on the visible absorption spectra of the dyes were evaluated. The color of the dyes is discussed with respect to the nature of the heterocyclic ring and substituent present therein. All these dyes were applied as disperse dyes on to polyester fabrics and their fastness properties were evaluated.

Elixir Online Journal published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C5H8N2O, Product Details of C5H8N2O.

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

Avhad, Kiran C. published the artcileViscosity induced emission of red-emitting NLOphoric coumarin morpholine-thiazole hybrid styryl dyes as FMRs: Consolidated experimental and theoretical approach, Safety of Morpholine-4-carbothioamide, the publication is Optical Materials (Amsterdam, Netherlands) (2018), 90-107, database is CAplus.

Four new coumarin hybrid styryl dyes are synthesized by condensing 4-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-morpholinothiazole-5-carbaldehyde with dicyanovinylene containing active methylene intermediates and their linear and non-linear optical properties are studied. The dye having dicyanovinylene-isophorone acceptor displayed a large Stokes shift of 3702-4795 cm^-1 in non-polar to polar solvent resp. The dyes exhibit a good charge transfer characteristics and pos. emission solvatochromism (∼50 nm-72 nm) in non-polar to a polar solvent which is well supported by multi-linear regression anal. Viscosity induced enhancement study in ethanol/polyethylene glycol-400 system shows 2.71-6.78 fold increase in emission intensity. The intra and twisted-intramol. charge transfer (ICT-TICT) characteristics were established using emission solvatochromism, polarity plots, generalized Mullikan-Hush (GMH) anal. and optimized geometry. A dye having the highest charge transfer dipole moment relatively possess the maximum two-photon absorption cross-section area (KK-1 = 165-207 GM) which was established using theor. two-level model. The NLO properties have been investigated employing solvatochromic and computational methods and were found to be directly proportional to the polarity of the solvent. Z-scan results reveal that the dyes KK-1 and KK-2 possesses reverse saturable kind of behavior whereas KK-3 and KK-4 show saturable kind of behavior. From the exptl. and theor. data, these coumarin thiazole hybrid dyes can be considered as promising candidates for FMR and NLOphores.

Optical Materials (Amsterdam, Netherlands) published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, Safety of Morpholine-4-carbothioamide.

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

Umape, Prashant G. published the artcileSynthesis and characterization of novel yellow azo dyes from 2-morpholin-4-yl-1,3-thiazol-4(5H)-one and study of their azo-hydrazone tautomerism, Name: Morpholine-4-carbothioamide, the publication is Dyes and Pigments (2013), 99(2), 291-298, database is CAplus.

Novel yellow azo dyes were synthesized by diazotization of aromatic amines followed by coupling with 2-morpholin-4-yl-1,3-thiazol-4(5H)-one and fully characterized. The geometries of the synthesized dyes for azo and hydrazone tautomeric forms were optimized using B3LYP, CAM-B3LYP and M06 functional and 6-31G(d) and 6-311++G (d,p) basis sets, also their electronic excitation properties were evaluated using d. functional theory. The optimized geometries reveal that the hydrazone for is more stable than the azo form. Photophys. properties of the synthesized dyes were evaluated by UV-Visible spectroscopy and compared with computed vertical excitation obtained from TDDFT. The results clearly illustrate existence of dye 8a, 8b and 8c in hydrazone tautomeric form, while 8d exist in both azo as well as hydrazone form. Thermal stabilities were estimated by using thermo gravimetric anal., and results revels that the synthesized dyes have good thermal stability.

Dyes and Pigments published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C20H19NO4, Name: Morpholine-4-carbothioamide.

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

Kolodziuk, Robert published the artcilePalladium-catalyzed Suzuki cross-coupling of aryl halides with aryl boronic acids in the presence of glucosamine-based phosphines, Computed Properties of 14294-10-1, the publication is Journal of Organometallic Chemistry (2003), 687(2), 384-391, database is CAplus.

Carbohydrate-substituted phosphines are easily obtained in quite good yields by coupling of protected or non-protected D-glucosamine with the corresponding diphenylphosphino acid. These neutral ligands, in association with palladium acetate, are very active catalysts in the Suzuki cross-coupling reaction. The polyhydroxy phosphines are more active than the peracetylated phosphines. The process tolerates electron-rich as well as electron-poor substituents. Excellent turnovers, up to 97 000 are observed

Journal of Organometallic Chemistry published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, Computed Properties of 14294-10-1.

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

Shaik, Jeelan Basha published the artcileSynthesis, pharmacological assessment, molecular modeling and in silico studies of fused tricyclic coumarin derivatives as a new family of multifunctional anti-Alzheimer agents, Quality Control of 15029-36-4, the publication is European Journal of Medicinal Chemistry (2016), 219-232, database is CAplus and MEDLINE.

A series of fused tricyclic coumarin derivatives bearing iminopyran ring connected to various amido moieties was developed as potential multifunctional anti-Alzheimer agents for their cholinesterase inhibitory and radical scavenging activities. In vitro studies revealed that most of these compounds exhibited high inhibitory activity on acetylcholinesterase (AChE), with IC₅₀ values ranging from 0.003 to 0.357 μM which is 2-220 folds more potent than the pos. control, galantamine. Their inhibition selectivity against AChE over butyrylcholinesterase (BuChE) has increased about 194 fold compared with galantamine. The developed compounds also showed potent ABTS radical scavenging activity (IC₅₀ 7.98-15.99 μM). Specifically, the most potent AChE inhibitor, I (NR¹R² = NHCH₂C₆H₄Br-3) (II), (IC₅₀ 0.003 ± 0.0007 μM) has an excellent antioxidant profile as determined by the ABTS method (IC₅₀ 7.98 ± 0.77 μM). Moreover, cell viability studies in SK N SH cells showed that the compounds I (NR¹R² = NHCH₂C₆H₄Br-2, NHCH₂C₆H₄Br-3, NHCH₂C₆H₄Cl-2, NHCH₂C₆H₄Cl-3, NHCH₂C₆H₄CMe₃-4) (III) have significant neuroprotective effects against H₂O₂-induced cell death, and are not neurotoxic at all concentrations except I (NR¹R² = NHCH₂C₆H₄CMe₃-4) and II. The kinetic anal. of compound II proved that it is a mixed-type inhibitor for EeAChE (K_i1 0.0103 μM and K_i2 0.0193 μM). Accordingly, the mol. modeling study demonstrated that III with a substituted benzyl amido moiety possessed an optimal docking pose with interactions at catalytic active site (CAS) and peripheral anionic site (PAS) of AChE simultaneously and thereby they might prevent aggregation of Aβ induced by AChE. Furthermore, in silico ADMET prediction studies indicated that these compounds satisfied all the characteristics of CNS acting drugs. Most active inhibitor II is permeable to BBB as determined in the in vivo brain AChE activity. To sum up, the multipotent therapeutic profile of these novel tricyclic coumarins makes them promising leads for developing anti-Alzheimer agents.

European Journal of Medicinal Chemistry published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C4H6O3, Quality Control of 15029-36-4.

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