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Volume 2020, September

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Molbank, Volume 2020, Issue 4 (December 2020) – 7 articles

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4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
Molbank 2020, 2020(4), M1163; https://doi.org/10.3390/M1163 - 21 Oct 2020
Viewed by 135
Abstract
The title compound, 4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline 2, a well-known substance, was resynthesized in high yields through a conventional method. The structure of compound 2 was characterized for the first time by a single-crystal X-ray structure determination. The compound was further established through NMR spectroscopy [...] Read more.
The title compound, 4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline 2, a well-known substance, was resynthesized in high yields through a conventional method. The structure of compound 2 was characterized for the first time by a single-crystal X-ray structure determination. The compound was further established through NMR spectroscopy (1D and 2D). In the molecular packing, two molecules of 4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline interact through H-Bonds to define “dimers” in which phenyl groups interact especially using π…π contact. Full article
(This article belongs to the Section Structure Determination)
Open AccessShort Note
(7E)-3-(4-Methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydro-3aH-indazole
Molbank 2020, 2020(4), M1162; https://doi.org/10.3390/M1162 - 21 Oct 2020
Viewed by 154
Abstract
Indazole derivatives are well known to have various pharmacological activities. We synthesized a novel derivative of indazole, namely (7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydro-3aH-indazole by condensation reaction between 3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole and 4-methoxy-benzaldehyde in good yield (61%). Full article
(This article belongs to the Section Organic Synthesis)
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6-Bromo-N-(3-(Difluoromethyl)phenyl)quinolin-4-Amine
Molbank 2020, 2020(4), M1161; https://doi.org/10.3390/M1161 - 20 Oct 2020
Viewed by 206
Abstract
A routine synthesis was performed to furnish the title compound which incorporates a versatile difluoromethyl group on the aniline substitution of a 4-anilinoquinoline kinase inhibitor motif. In addition, the small molecule crystal structure (of the HCL salt) was solved, which uncovered that the [...] Read more.
A routine synthesis was performed to furnish the title compound which incorporates a versatile difluoromethyl group on the aniline substitution of a 4-anilinoquinoline kinase inhibitor motif. In addition, the small molecule crystal structure (of the HCL salt) was solved, which uncovered that the difluoromethyl group was disordered within the packing arrangement and also a 126.08(7)° out of plane character between the respective ring systems within the molecule. The compound was fully characterized with 1H/13C-NMR and high-resolution mass spectra (HRMS), with the procedures described. Full article
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Open AccessShort Note
Di(bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)dimethylsilane
Molbank 2020, 2020(4), M1160; https://doi.org/10.3390/M1160 - 12 Oct 2020
Viewed by 208
Abstract
Di(bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)dimethylsilane (DiBCB-DMS) was synthesized as a promising monomer for polymer coating production with good dielectric properties for electronics. DiBCB-DMS was characterized by 1H, 13C NMR, IR, UV/VIS, and HRMS analysis. Full article
(This article belongs to the Section Organic Synthesis)
Open AccessShort Note
3,5-Bis((E)-4-methoxybenzylidene)-1-(2-morpholinoethyl)piperidin-4-one
Molbank 2020, 2020(4), M1159; https://doi.org/10.3390/M1159 - 08 Oct 2020
Viewed by 247
Abstract
The 3,5-bis((E)-4-methoxybenzylidene)-1-(2-morpholinoethyl)piperidin-4-one (3) compound was synthesized by a two-step reaction with 92% yield. The chemical structure of compound 3 was confirmed by IR, NMR, and mass spectrometry. The title compound was screened for its anti-dengue activity against DENV2 NS2B-NS3 [...] Read more.
The 3,5-bis((E)-4-methoxybenzylidene)-1-(2-morpholinoethyl)piperidin-4-one (3) compound was synthesized by a two-step reaction with 92% yield. The chemical structure of compound 3 was confirmed by IR, NMR, and mass spectrometry. The title compound was screened for its anti-dengue activity against DENV2 NS2B-NS3 protease and showed 39.09% inhibitory activity at 200 µg/mL. Full article
(This article belongs to the Section Organic Synthesis)
Open AccessShort Note
3-Hydroxy-2-iodophenyl-(4-methylbenzenesulfonate)
Molbank 2020, 2020(4), M1158; https://doi.org/10.3390/M1158 - 06 Oct 2020
Viewed by 275
Abstract
3-Hydroxy-2-iodophenyl-(4-methylbenzenesulfonate) was synthesized via a three-step procedure, starting from commercially available resorcinol, with an overall yield of 65%. The structures of the products were determined by 1H and 13C NMR, HRMS and IR. Full article
(This article belongs to the Section Organic Synthesis)
Open AccessShort Note
3-Hydroxy-8,14-secogammacera-7,14-dien-21-one: A New Onoceranoid Triterpenes from Lansium domesticum Corr. cv kokossan
Molbank 2020, 2020(4), M1157; https://doi.org/10.3390/M1157 - 30 Sep 2020
Viewed by 274
Abstract
A new onoceranoid triterpenes, namely 3-hydroxy-8,14-secogammacera-7,14-dien-21-one (1), has been isolated from the fruit peels of Lansium domesticum Corr. cv kokossan. The structure of 1 was determined on the basis of spectroscopic data including infrared, 1D and 2D-NMR, as well as [...] Read more.
A new onoceranoid triterpenes, namely 3-hydroxy-8,14-secogammacera-7,14-dien-21-one (1), has been isolated from the fruit peels of Lansium domesticum Corr. cv kokossan. The structure of 1 was determined on the basis of spectroscopic data including infrared, 1D and 2D-NMR, as well as high resolution mass spectroscopy analysis. Compound 1 showed a weak activity against MCF-7 breast cancer cell lines. Full article
(This article belongs to the Special Issue Synthesis of Flavonoids or Other Nature-Inspired Small Molecules)
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