scholarly journals Ammonium Salts of 5-(3-Chromenyl)-5H-chromeno[2,3-b]pyridines

Molbank ◽  
10.3390/m1219 ◽  
2021 ◽  
Vol 2021 (2) ◽  
pp. M1219
Author(s):  
Yuliya E. Ryzhkova ◽  
Artem N. Fakhrutdinov ◽  
Michail N. Elinson
Keyword(s):  
Mass Spectrometry ◽  
Ir Spectroscopy ◽  
Human Body ◽  
Elemental Analysis ◽  
13C Nmr ◽  
Ammonium Salts ◽  
Medicinal Substances

The ammonium salts of many drugs have significantly improved the solubility and, accordingly, the bioavailability of medicinal substances in the human body. 5-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-5H-chromeno[2,3-b]pyridines are potential NPY1R ligands, which are attractive for antiobesity treatment. Ammonium salts of 5H-chromeno[2,3-b]pyridines were previously unknown. In this communication, it was found that the four-component reaction of salicylaldehyde, 2-aminoprop-1-ene-1,1,3-tricarbonitrile, 4-Hydroxy-2H-chromen-2-one and amines results in the formation of ammonium salts of 5-(3-chromenyl)-5H-chromeno[2,3-b]pyridines. The structure of these previously unknown compounds was confirmed by means of 1H, 13C NMR and IR spectroscopy, mass spectrometry and elemental analysis.

scholarly journals 4-(7-Bromobenzo[d][1,2,3]thiadiazol-4-yl)morpholine

Molbank ◽  
10.3390/m1202 ◽  
2021 ◽  
Vol 2021 (2) ◽  
pp. M1202
Author(s):  
Nikita Gudim ◽  
Ekaterina Knyazeva ◽  
Natalia Obruchnikova ◽  
Oleg Rakitin ◽  
Vadim Popov
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Ir Spectroscopy ◽  
Elemental Analysis ◽  
13C Nmr ◽  
High Resolution Mass Spectrometry ◽  
Nitrogen Heterocycles ◽  
X Ray ◽  
Photovoltaic Materials ◽  
Resolution Mass

Dibromoderivatives of benzofused chalcogen-nitrogen heterocycles are important precursors in the synthesis of various photovoltaic materials. 4,7-Dibromobenzo[d][1,2,3]thiadiazole is a practically unexplored compound in this series. In this communication, it was shown that the nucleophilic substitution of 4,7-dibromobenzo[d][1,2,3]thiadiazole with morpholine gave selectively 4-substituted product—4-(7-bromobenzo[d][1,2,3]thiadiazol-4-yl)morpholine. The structure of the newly synthesized compound was established by means of elemental analysis, high resolution mass-spectrometry, 1H, 13C NMR, and IR spectroscopy, mass-spectrometry, and X-ray analysis.

scholarly journals 8,18-Dithia-1,4,11,14-tetraazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-3,5(9),6,13,15(19),16-hexaene-10,20-dione

Molbank ◽  
10.3390/m1056 ◽  
2019 ◽  
Vol 2019 (2) ◽  
pp. M1056
Author(s):  
Vladimir A. Ogurtsov ◽  
Oleg A. Rakitin
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Ir Spectroscopy ◽  
Elemental Analysis ◽  
13C Nmr ◽  
High Resolution Mass Spectrometry ◽  
Biologically Active ◽  
Active Compounds ◽  
Dimerization Product ◽  
Resolution Mass

4H-3λ2-Thieno[3,2-d]pyrimidin-4-one derivatives are of interest as biologically active compounds. In this communication, 2-(chloromethyl)-4H-3λ2-thieno[3,2-d]pyrimidin-4-one (1) was investigated in the reaction with ammonia, potassium phthalimide, and other basic agents. The dimerization product—8,18-dithia-1,4,11,14-tetrazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-3,5(9),6,13,15(19),16-hexaene-10,20-dione was formed in the reaction with potassium phthalimide in DMF, by heating at 110 °C for 5 h. The structure of the newly synthesized compound was established by means of elemental analysis, high resolution mass-spectrometry, 1H, 13C NMR, and IR spectroscopy, and mass-spectrometry.

scholarly journals (2,3-Dihydro-1H-indol-5-ylmethyl)amine

Molbank ◽  
10.3390/m1248 ◽  
2021 ◽  
Vol 2021 (3) ◽  
pp. M1248
Author(s):  
Vladimir A. Ogurtsov ◽  
Oleg A. Rakitin
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Ir Spectroscopy ◽  
Elemental Analysis ◽  
13C Nmr ◽  
High Resolution Mass Spectrometry ◽  
Pharmacological Properties ◽  
High Resolution Mass ◽  
Resolution Mass

New (2,3-dihydro-1H-indol-5-ylmethyl)amine was synthesized from 2-((1-acetylindolin-5-yl)methyl)isoindoline-1,3-dione by simultaneous deprotection of phthalimide and acetyl groups. The structure of the newly synthesized compounds was established by elemental analysis, high resolution mass-spectrometry, 1H, 13C NMR and IR spectroscopy and mass-spectrometry. The resulting compound is a convenient intermediate for various disubstituted 1-(indolin-5-yl)methanamines, which may be of interest as substances with useful pharmacological properties.

scholarly journals 4-Chloro-6-(chloromethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine

Molbank ◽  
10.3390/m1253 ◽  
2021 ◽  
Vol 2021 (3) ◽  
pp. M1253
Author(s):  
Vladimir Ogurtsov ◽  
Oleg Rakitin
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Ir Spectroscopy ◽  
Elemental Analysis ◽  
13C Nmr ◽  
High Resolution Mass Spectrometry ◽  
Pharmacological Properties ◽  
High Resolution Mass ◽  
Resolution Mass

A novel 4-chloro-6-(chloromethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine was prepared by a rational and short two-step synthesis from commercially available ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate via 6-(chloromethyl)-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one. The structure of the synthesized compounds was established by elemental analysis, high-resolution mass-spectrometry, 1H, 13C-NMR and IR spectroscopy and mass-spectrometry. 4-Chloro-6-(chloromethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine is a convenient intermediate for various disubstituted 1-methyl-1H-pyrazolo[3,4-d]pyrimidines, which may be of interest as substances with useful pharmacological properties.

scholarly journals Ethyl 11a,12-Dihydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine-5a(6H)-carboxylate

Molbank ◽  
10.3390/m1149 ◽  
2020 ◽  
Vol 2020 (3) ◽  
pp. M1149 ◽  
Author(s):  
Lidia S. Konstantinova ◽  
Mikhail A. Tolmachev ◽  
Vadim V. Popov ◽  
Oleg A. Rakitin
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Ir Spectroscopy ◽  
Elemental Analysis ◽  
13C Nmr ◽  
Heterocyclic System ◽  
High Resolution Mass Spectrometry ◽  
X Ray ◽  
Moderate Yield ◽  
Resolution Mass

The 11a,12-dihydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine heterocyclic system has been used in the construction of heteropropellanes, which attracted much attention not only on the possible modification of drugs, but also for novel materials with unusual and important physical properties. In this communication, the reaction of ethyl 2-(hydroxyimino)propanoate 1 with disulfur dichloride and o-aminophenol, which gave ethyl 11a,12-dihydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine-5a(6H)-carboxylate in moderate yield, was described. The structure of the newly synthesized compound was established by means of elemental analysis, high resolution mass-spectrometry, 1H, 13C NMR and IR spectroscopy, mass-spectrometry and X-ray analysis.

scholarly journals 8-(Pyrimidin-2-yl)-1,2,3,4,5,6,7,8-heptathiazocane

Molbank ◽  
10.3390/m1091 ◽  
2019 ◽  
Vol 2019 (4) ◽  
pp. M1091
Author(s):  
Vladimir A. Ogurtsov ◽  
Oleg A. Rakitin
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Ir Spectroscopy ◽  
Elemental Analysis ◽  
13C Nmr ◽  
Good Yield ◽  
High Resolution Mass Spectrometry ◽  
Biologically Active ◽  
Active Compounds ◽  
Resolution Mass

Heptasulfur imides substituted by hereterocycle may be of interest as biologically active compounds. In this communication, the reaction of pyrimidin-2-amine 1 with disulfur dichloride was carefully investigated to give 8-(pyrimidin-2-yl)-1,2,3,4,5,6,7,8-heptathiazocane in good yield. The structure of the newly synthesized compound was established by means of elemental analysis, high resolution mass-spectrometry, 1H, 13C NMR and IR spectroscopy and mass-spectrometry.

scholarly journals 4-(3-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)thieno[3,2-d]pyrimidine

Molbank ◽  
10.3390/m1136 ◽  
2020 ◽  
Vol 2020 (2) ◽  
pp. M1136
Author(s):  
Eun Sun Noh ◽  
Sung Min Kim ◽  
Yang-Heon Song
Keyword(s):  
Mass Spectrometry ◽  
Biological Activity ◽  
Ir Spectroscopy ◽  
Elemental Analysis ◽  
13C Nmr ◽  
Ammonium Carbonate ◽  
Subsequent Treatment ◽  
Hybrid Compound

A new hybrid compound, 4-(3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)thieno[3,2-d]pyrimidine 3, with promising biological activity was efficiently synthesized by the reaction of 3-phenyl-1-(thieno[3,2-d]pyrimidin-4-yl)-1H-pyrazol-5-amine with Vilsmeier–Haack reagent and subsequent treatment with ammonium carbonate. The structure of the synthesized compound was fully characterized by 1H-, 13C-NMR, IR spectroscopy, mass-spectrometry and elemental analysis.

Synthesis and Spectral Characterization of New S-Alkylated 1,2,4-Triazoles as Potential Biological Agents

2017 ◽  
Vol 68 (10) ◽  
pp. 2436-2439
Author(s):  
Stefania Felicia Barbuceanu ◽  
Laura Ileana Socea ◽  
Constantin Draghici ◽  
Elena Mihaela Pahontu ◽  
Theodora Venera Apostol ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Spectral Data ◽  
1H Nmr ◽  
Elemental Analysis ◽  
13C Nmr ◽  
Ethyl Bromide ◽  
Spectral Characterization ◽  
Basic Medium ◽  
Phenacyl Bromide

In the work we presented the behavior of 5-(4-(4-X-phenylsulfonyl)phenyl)-4-(n-propyl)-2H-1,2,4-triazole-3(4H)-thiones (X= Cl or Br) with some alkylation agents. Thus, new S-alkylated 1,2,4-triazole derivatives were synthesized by reaction of the corresponding 1,2,4-triazole-3-thione derivatives with different �-halogenated compounds (ethyl bromide, ethyl chloroacetate or phenacyl bromide), in basic medium. The structures of synthesized compounds were elucidated by spectral data (1H-NMR, 13C-NMR, mass spectrometry) and elemental analysis.

scholarly journals (2S,3R,6R)-2-[(R)-1-Hydroxyallyl]-4,4-dimethoxy-6-methyltetrahydro-2H-pyran-3-ol

Molbank ◽  
10.3390/m1140 ◽  
2020 ◽  
Vol 2020 (2) ◽  
pp. M1140
Author(s):  
Jack Bennett ◽  
Paul Murphy
Keyword(s):  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
13C Nmr ◽  
Conjugate Addition ◽  
13C Nmr Spectroscopy ◽  
One Pot ◽  
1H And 13C Nmr ◽  
Esi Mass Spectrometry ◽  
The One

(2S,3R,6R)-2-[(R)-1-Hydroxyallyl]-4,4-dimethoxy-6-methyltetrahydro-2H-pyran-3-ol was isolated in 18% after treating the glucose derived (5R,6S,7R)-5,6,7-tris[(triethylsilyl)oxy]nona-1,8-dien-4-one with (1S)-(+)-10-camphorsulfonic acid (CSA). The one-pot formation of the title compound involved triethylsilyl (TES) removal, alkene isomerization, intramolecular conjugate addition and ketal formation. The compound was characterized by 1H and 13C NMR spectroscopy, ESI mass spectrometry and IR spectroscopy. NMR spectroscopy was used to establish the product structure, including the conformation of its tetrahydropyran ring.

scholarly journals Functionalized 1,3-Thiazolidin-4-Ones from 2-Oxo-Acenaphthoquinylidene- and [2.2]Paracyclophanylidene-Thiosemicarbazones

Molecules ◽  
2019 ◽  
Vol 24 (17) ◽  
pp. 3069 ◽  
Author(s):  
Ashraf A. Aly ◽  
Nasr K. Mohamed ◽  
Alaa A. Hassan ◽  
Kamal M. El-Shaieb ◽  
Maysa M. Makhlouf ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Elemental Analysis ◽  
13C Nmr ◽  
Spectroscopic Data ◽  
Complex Structure ◽  
2D Nmr ◽  
Efficient Tool ◽  
X Ray ◽  
Dialkyl Acetylenedicarboxylates ◽  
Allyl Derivative

The reactions of dialkyl acetylenedicarboxylates with various 2-oxo-acenaphthoquinylidene- and 4-acetyl[2.2]paracyclophanylidene-thiosemicarbazones were investigated. Using simple experimental procedures, 1,3-Thiazolidin-4-ones derived from acenaphthequinone or [2.2]paracyclophane were obtained as major products in good yields. In the case of allyl derivative of acenaphthoquinylidene-thiosemicarbazones, a complex structure of tetramethyl 5-(2-(((Z,E)-N-allyl-N′-(2-oxoacenaphthylen-1(2H)-ylidene)carbamohydrazonoyl)thio)-1,2,3-tris-(methoxycarbonyl)-cyclopropyl)-4-methoxy-7-oxabicyclo[2.2.1]hepta-2,5-diene-1,2,3,6-tetracarboxylate was formed. Single crystal X-ray analysis was used as an efficient tool to confirm the structure of the synthesized compounds as well as different spectroscopic data (1H-NMR, 13C-NMR, 2D-NMR, mass spectrometry and elemental analysis). The mechanism of the obtained products was discussed.

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