Reactions of 4-Methyl-1-(1′-methylethyl)-4-nitrocyclohexa-2,5-dien-1-yl Acetates With Nitrogen Dioxide; Towards a Mechanism for the Formation of Polynitro Cyclohexenyl Esters on Reaction of p-Cymene With Nitrogen Dioxide in Acetic Anhydride

1989 ◽  
Vol 42 (12) ◽  
pp. 2225 ◽  
Author(s):  
AD Abell ◽  
MP Hartshorn ◽  
WT Robinson ◽  
AG Waller ◽  
GJ Wright
Keyword(s):  
Acetic Anhydride ◽  
Nitrogen Dioxide ◽  
Reaction Pathways ◽  
X Ray ◽  
Probable Reaction

The acetoxy nitro diene (21), the C3-epimeric 3,4,6-trinitro-5-nitratocyclohexenes (24) and (25), the 3,6-dinitro-5-nitratocyclohexa-1,3-diene (29), and the 3,6-dinitro-5-acetoxycyclohexa-1,3- diene (32) are identified as probable intermediates in the formation of polynitro cyclohexenyl esters (4)-(13) on reaction of p-cymene with nitrogen dioxide in acetic anhydride; probable reaction pathways are discussed. The X-ray crystal analysis of 4-methyl-1-(1′-methylethy1)-t-5-nitrato-r-3,t-4,c-6-trinitrocyclohexene (24) is reported.

Reactions of 1,4-Dimethyl-4-nitro-cyclohexa-2,5-dien-1-yl Acetates With Nitrogen Dioxide; the Formation of Polynitro Cyclohexenyl Esters

1991 ◽  
Vol 44 (1) ◽  
pp. 43 ◽  
Author(s):  
AD Abell ◽  
MP Hartshorn ◽  
ME Maclennan ◽  
WT Robinson ◽  
GJ Wright
Keyword(s):  
Crystal Structure ◽  
Acetic Anhydride ◽  
Nitrogen Dioxide ◽  
Aromatic Compounds ◽  
X Ray ◽  
Nitrate Esters ◽  
Structure Determinations ◽  
Nitro Aromatic

Reactions of the epimeric 4-nitrocyclohexa-2,5-dienyl acetates (10) and (11) with nitrogen dioxide in acetic anhydride give closely similar mixtures of the nitro aromatic compounds (12)-(15), three polynitro nitrate esters (16)-(18), and two polynitro acetates (19) and (20). X-Ray crystal structure determinations are reported for compounds (16)-(18).

The Nitration of p-Cymene With Nitrogen Dioxide in Acetic Anhydride

1989 ◽  
Vol 42 (12) ◽  
pp. 2143 ◽  
Author(s):  
MP Hartshorn ◽  
WT Robinson ◽  
AG Waller ◽  
GJ Wright
Keyword(s):  
Acetic Anhydride ◽  
Nitrogen Dioxide ◽  
Aromatic Compounds ◽  
X Ray ◽  
Nitro Aromatic

Reaction of p-cymene (1) with nitrogen dioxide in acetic anhydride gives polynitro nitrates (4)-(10), polynitro acetates (11)-(13), and nitro aromatic compounds (14)-(17). X-Ray crystal analyses are reported for compounds (5)-(9), (11) and (12).

An unusual reaction of a bridged triterpenoid α-diketone with acetic anhydride

1991 ◽  
Vol 56 (12) ◽  
pp. 2917-2935 ◽  
Author(s):  
Eva Klinotová ◽  
Václav Křeček ◽  
Jiří Klinot ◽  
Miloš Buděšínský ◽  
Jaroslav Podlaha ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Nmr Spectroscopy ◽  
Acetic Anhydride ◽  
Spectral Methods ◽  
X Ray Diffraction ◽  
X Ray ◽  
Mild Conditions ◽  
Condensation Products ◽  
Unsaturated Lactones ◽  
C Nmr

3β-Acetoxy-21,22-dioxo-18α,19βH-ursan-28,20β-olide (IIIa) reacts with acetic anhydride in pyridine under very mild conditions affording β-lactone IVa and γ-lactones Va and VIIa as condensation products. On reaction with pyridine, lactones Va and VIIa undergo elimination of acetic acid to give unsaturated lactones VIIIa and IXa, respectively. Similarly, the condensation of 20β,28-epoxy-21,22-dioxo-18α,19βH-ursan-3β-yl acetate (IIIb) with acetic anhydride leads to β-lactone IVb and γ-lactone Vb; the latter on heating with pyridine affords unsaturated lactone VIIIb and 21-methylene-22-ketone Xb. The structure of the obtained compounds was derived using spectral methods, particularly 1H and 13C NMR spectroscopy; structure of lactone IVa was confirmed by X-ray diffraction.

Über den Mechanismus der Bildung von Polyanionen in wäßriger Lösung. Zum Bildungsmechanismus eines Polytetramolybdations [Mo4O144-]n / On the Mechanism of Formation of Polyanions in Aqueous Solution. Concerning the Mechanism of Formation of a Polytetramolybdate Ion [Mo4O144-]n

1976 ◽  
Vol 31 (6) ◽  
pp. 737-748 ◽  
Author(s):  
Karl-Heinz Tytko
Keyword(s):  
Aqueous Solution ◽  
Coordination Sphere ◽  
Analytical Formula ◽  
Reaction Pathways ◽  
Mechanism Of Formation ◽  
X Ray ◽  
Theoretical Considerations

Possible structures and the pertinent reaction pathways for the polymetalate ion present in a slightly soluble polymetalate having the analytical formula A2O · 2 MOs have been derived on the basis of theoretical considerations. Structure and kind of combination of the tetrameric units of one of the possibilities are in agreement with the results of X-ray structure analyses. First the previously proposed planar tetrametalate ion [M4O12(OH)4]4--is formed by stepwise aggregation according to an addition mechanism. This species undergoes a rearrangement of the coordination sphere of two of the M atoms and is then subject to a polycondensation resulting in a polytetrametalate chain, [M4O144-]n.

scholarly journals Novel Hybrid Compounds Containing Benzofuroxan and Aminothiazole Scaffolds: Synthesis and Evaluation of Their Anticancer Activity

2021 ◽  
Vol 22 (14) ◽  
pp. 7497
Author(s):  
Elena Chugunova ◽  
Gabriele Micheletti ◽  
Dario Telese ◽  
Carla Boga ◽  
Daut Islamov ◽  
...  
Keyword(s):  
Anticancer Agents ◽  
Normal Liver ◽  
Mitochondrial Pathway ◽  
Reaction Pathways ◽  
Aromatic Nucleophilic Substitution ◽  
X Ray ◽  
Hybrid Compounds ◽  
Aromatic Nucleophilic Substitution Reaction ◽  
Further Development

A series of novel hybrid compounds containing benzofuroxan and 2-aminothiazole moieties are synthesized via aromatic nucleophilic substitution reaction. Possible reaction pathways have been considered quantum-chemically, which allowed us to suggest the most probable products. The quantum chemical results have been proved by X-ray data on one compound belonging to the synthesized series. It was shown that the introduction of substituents to both the thiazole and amine moieties of the compounds under study strongly influences their UV/Vis spectra. Initial substances and obtained hybrid compounds have been tested in vitro as anticancer agents. Target compounds showed selectivity towards M-HeLa tumor cell lines and were found to be more active than starting benzofuroxan and aminothiazoles. Furthermore, they are considerably less toxic to normal liver cells compared to Тamoxifen. The mechanism of action of the studied compounds can be associated with the induction of apoptosis, which proceeds along the mitochondrial pathway. Thus, new hybrids of benzofuroxan are promising candidates for further development as anticancer agents.

Reaction pathways of iron-sulfide mineral formation: an in situ X-ray diffraction study

2018 ◽  
Vol 30 (1) ◽  
pp. 77-84 ◽  
Author(s):  
Min-Yu Lin ◽  
Yen-Hua Chen ◽  
Jey-Jau Lee ◽  
Hwo-Shuenn Sheu
Keyword(s):  
Diffraction Study ◽  
Iron Sulfide ◽  
Sulfide Mineral ◽  
Reaction Pathways ◽  
Mineral Formation ◽  
X Ray Diffraction ◽  
X Ray

The Nitration of 4,6-Disubstituted 2-Phenylphenols. Some Structural Studies

1985 ◽  
Vol 38 (4) ◽  
pp. 575 ◽  
Author(s):  
MP Hartshorn ◽  
WT Robinson ◽  
J Vaughan ◽  
JM White
Keyword(s):  
Crystal Structure ◽  
Nitrogen Dioxide ◽  
Structural Studies ◽  
X Ray ◽  
Structure Determinations

Nitration of the bromophenols (4a) and (5a) give products of nitro-debromination . Reaction of 6-methyl-4-nitro-2-phenylphenol (5c) with nitrogen dioxide gives 2-hydroxy-2-phenylcyclohex-3-enones (8) and (9), and probably stereoisomers (10), (20), (21) and (22). The mode of ormation of these compounds is discussed. X-ray crystal structure determinations are reported for compounds (8) and (9).

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