22 research outputs found
Synthesis, FT-IR, UV-VIS, DFT studies and SCXRD structure of 1-(tert-butyl) 3-ethyl-3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate
The crystal structure of 1-(tert-butyl) 3-ethyl 3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate (C18H25NO5S) I has been determined by Single Crystal X-ray Diffraction (SCXRD) techniques. It crystallizes in the orthorhombic space group Pca21 with unit cell parameters a = 19.4502(13)Å, b= 6.3571(4)Å, c= 15.2577(10) Å and number of molecules per unit cell, z = 4. The intensity data have been collected at room température (293 K) and the structure has been solved by direct methods. The full matrix least-squares refinement has converged the final R-value to 0.035 for 2251 observed reflections. The piperidine ring adopts a chair conformation. The structure is stabilized by two C–H…O (intermolecular interactions) and five C–H…O (intramolecular interactions). The structural and spectral studies of 1-(tert-butyl) 3-ethyl 3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate have been carried out by using both experimental and quantum chemical techniques
Synthesis, FT-IR, UV-VIS, DFT studies and SCXRD structure of 1-(tert-butyl) 3-ethyl-3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate
1043-1056The crystal structure of 1-(tert-butyl) 3-ethyl 3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate (C18H25NO5S) I has been determined by Single Crystal X-ray Diffraction (SCXRD) techniques. It crystallizes in the orthorhombic space group Pca21 with unit cell parameters a = 19.4502(13)Å, b= 6.3571(4)Å, c= 15.2577(10) Å and number of molecules per unit cell, z = 4. The intensity data have been collected at room température (293 K) and the structure has been solved by direct methods. The full matrix least-squares refinement has converged the final R-value to 0.035 for 2251 observed reflections. The piperidine ring adopts a chair conformation. The structure is stabilized by two C–H…O (intermolecular interactions) and five C–H…O (intramolecular interactions). The structural and spectral studies of 1-(tert-butyl) 3-ethyl 3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate have been carried out by using both experimental and quantum chemical techniques
Analysis of the phenotypes in the Rett Networked Database
Rett spectrum disorder is a progressive neurological disease and the most common genetic cause of intellectual disability in females. MECP2 is the major causative gene. In addition, CDKL5 and FOXG1 mutations have been reported in Rett patients, especially with the atypical presentation. Each gene and different mutations within each gene contribute to variability in clinical presentation, and several groups worldwide performed genotype-phenotype correlation studies using cohorts of patients with classic and atypical forms of Rett spectrum disorder. The Rett Networked Database is a unified registry of clinical and molecular data of Rett patients, and it is currently one of the largest Rett registries worldwide with several hundred records provided by Rett expert clinicians from 13 countries. Collected data revealed that the majority of MECP2-mutated patients present with the classic form, the majority of CDKL5-mutated patients with the early-onset seizure variant, and the majority of FOXG1-mutated patients with the congenital form. A computation of severity scores further revealed significant differences between groups of patients and correlation with mutation types. The highly detailed phenotypic information contained in the Rett Networked Database allows the grouping of patients presenting specific clinical and genetic characteristics for studies by the Rett community and beyond. These data will also serve for the development of clinical trials involving homogeneous groups of patient
Metal-free reductive amination of aldehydes for the synthesis of secondary and tertiary amines
1252-1259Reductive amination
of aldehydes to produce secondary amines at room-temperature by in situ
generated benzimidazoline is discussed. The bonus of the reaction is the
formation of pharmaceutically important benzimidazole as a by-product in good
yield, which can be recovered from the reaction mixture by simple filtration.
The product, secondary amine, is transformed to tertiary amine in the same pot
Ferric nitrate nonahydrate as a mild and efficient catalyst for the synthesis of β-enaminones
1122-1127Ferric nitrate nonahydrate (Fe(NO3)3.9H2O) has been found to be an
extremely mild and efficient catalyst for the preparation of β-enaminones from
β-dicarbonyl compounds and amines (aliphatic amines, aromatic amines and
α-amino acid esters)
Synthesis and antimicrobial evaluation of novel lipophilic derivatives of pyrazolylisoxazolines
259-265A series of novel 3′-(3-phenyl-3,4-dihydro-2H-pyrazol-5-yl)-2,2-dimethylspiro{bicyclo[2.2.1]heptan-3,5′-isoxazoline-2′}, 3′-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-2,2-dimethylspiro{bicyclo[2.2.1]heptan-3,5′-isoxazoline-2′} and
5-octyl-3-(3-phenyl-3,4-dihydro-2H-pyrazol-5-yl)isoxazoline-2,
5-decyl-3-(2,3-diphenyl--3,4-dihydropyrazol-5-yl)isoxazoline-2 have been
prepared and screened for their antibacterial and antifungal activities.
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Reaction of 3-(2-Nitrophenyl)-1-arylprop-2-en-1-ones with Triethylphosphite in Microwave Revisited: One-Pot Synthesis of 2-Aroylindoles and 2-Arylquinolines
<div><p></p><p>One-pot synthesis of 2-aroylindoles and 2-arylquinolines has been achieved by the reductive cyclization of 3-(2-nitrophenyl)-1-arylprop-2-en-1-ones with triethylphosphite [P(OEt)<sub>3</sub>] under microwave irradiation. The formation of 2-arylquinolines by this method is unprecedented.</p></div
Alum-Catalyzed Domino Synthesis of 12-Substituted-8,9,10,12-tetrahydrobenzoxanthen-11-ones Under Solvent-Free Conditions
<div><p></p><p>Alum is found to catalyze efficiently the one-pot, three-component condensation of aldehydes, α/β-naphthol, and dimedone to afford various 12-substituted-8,9,10,12-tetrahydrobenzoxanthen-11-ones in excellent yields. The use of alum catalyst and the solvent-free conditions make this method simple, convenient, eco-friendly, and cost-effective.</p>
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