Preparation of cinnolines and indoles from 2,β-dinitrostyrenes

Baxter, Ian; Swan, G. A.

doi:10.1039/j39680000468

Cited by 31 publications

(40 citation statements)

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“…For the sticky limit [45] in the two-site model fluid, Wertheim [16] obtained an equation of state for a chain fluid of average molecular length which is in very good agreement with the computer simulation results of Dickman and Hall [46] for chains of tangent hard spheres. It was shown later that the treatment can be extended to a fluid of fixed chain length by considering a mixture of segments with one and two bonding sites of appropriate stoichiometry [23].…”

Section: Chain Aggregatessupporting

confidence: 61%

Improved models for the phase behaviour of hydrogen fluoride: chain and ring aggregates in the SAFT approach and the AEOS model

et al. 2002

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Hydrogen fluoride presents one of the strongest hydrogen bonds known. Ring aggregates exist both in the vapour and liquid phases at low temperatures resulting in an anomalously high low-temperature vapour pressure. The effect of ring-like aggregates on the vapour-liquid phase equilibria of associating fluids is studied within the framework of the statistical associating fluid theory (SAFT) and in the chemical model of Lmcka and Anderko (AEOS). The SAFT approach incorporates separate contributions to describe chain formation, association (hydrogen bonding), and long range dispersion forces. The treatment of the association interactions stems from the thermodynamic perturbation theory of Wertheim. At the first level of approximation the contribution of ring-like aggregates is neglected and only chain-and treelike structures are treated. In this work an earlier extension of the approach to incorporate ring aggregates is used to model the phase behaviour of hydrogen fluoride. The chemical model of Lencka and Anderko for associating fluids is also considered together with a modification that takes into account the formation of ring aggregates. Vapour pressures and coexistence densities are examined together with heats of vapourization, and the calculations are compared with experimental data.

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Section: Chain Aggregatessupporting

confidence: 61%

Improved models for the phase behaviour of hydrogen fluoride: chain and ring aggregates in the SAFT approach and the AEOS model

et al. 2002

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“…The parameters Rsw and Fsw are, respectively• the range and the depth of the above square-well potential. The AHS potential is a limiting case of the SW potential and its interparticle potential is given by [2] /ht.u,s(r}= ln[12r(Rmts-lJ/Rm,s] (0,…”

Section: Theorymentioning

confidence: 99%

“…These results were used to examine the adequacy of analytical results based on the so-called adhesive-hard-sphere (AHS) model, which depends on a single parameter known as the "adhesiveness •` parameter (in addition to the density of the system). Structure factors and the equation of state for this model can be obtained analytically with sufficient accuracy in the Percus-Yevick (PY) approximation [2]. The adhesiveness parameter can be determined by mapping the SW potential onto the AHS model, by equating their respective second virial coefficients.…”

Section: Introductionmentioning

confidence: 99%

Structures and phase transitions in colloidal dispersions from theory and simulation

Shukla

Rajagopalan

1995

Int J Thermophys

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Eqt, ilibrium properties of uncharged colloidal dispersions with particles interacting via harsh short-ranged repulsive Ibrces and strong short-ranged attractive forces are determined by means of an approach in which colloids are treated as st, pramolecular versions of simple fluids. The interparticle interactions are represented by short-ranged square-well potentials. Structure factors and phase diagrams for the dispersions are determined analytically by mapping the squarewell potential onto the adhesive-hard-sphere model by equating the respective second virial coeMcients. Theoretical predictions are compared with molecular simulation results for the conditions relevant to real colloidal dispersions. Our resuhs show that the adhesive-hard-sphere inodel c~,n describe accurately structure l:actors and phase diagrams of nonionic microemnlsions and inverted micellar systems containing AOT surfactant dispersed in oil. Both upper-critical and lower-critical consolutc points in colloidal dispersions dominated by shortranged attractive forces can be described using the same formalism.KEY WORDS: adhesive hard spheres: colloidal dispersions; interparticle interactions: micellar systems: microemulsions: phase transitions.

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“…In addition, various analogues of 2 have been reported to exhibit fungicidal activity (1 1). A standard route to the dinitrostyrenes has been the condensation of nitromethane with nitrobenzaldehydes, with the latter prepared by an aromatic nitration reaction (7,8). The procedure described in this paper provides a unique entry into this class of compounds, as both nitro groups are introduced into the molecule simultaneously.…”

Section: Resultsmentioning

confidence: 99%

Cerium(IV)-induced nitration of cinnamic acids. Novel remote electrophilic substitution

Peterson¹,

Hoang²,

Dunham³

1988

Can. J. Chem.

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The treatment of (E)-3,4-dimethoxycinnamic acid with ceric ammonium nitrate in trifluoroacetic acid afforded (E)-1,2-dimethoxy-4-nitro-5-(2-nitroethenyl)benzene in 79% yield. The unusual ipso substitution of the carboxylic acid moiety by a nitro functional center illustrated a new reaction manifold of cerium(IV). Six cinnamic acids were examined to ascertain the generality of the transformation. The bidentate nitrato structure of the metal salt is believed to account for the nitrating ability of this system.

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Preparation of cinnolines and indoles from 2,β-dinitrostyrenes

Cited by 31 publications

References 0 publications

Improved models for the phase behaviour of hydrogen fluoride: chain and ring aggregates in the SAFT approach and the AEOS model

Improved models for the phase behaviour of hydrogen fluoride: chain and ring aggregates in the SAFT approach and the AEOS model

Structures and phase transitions in colloidal dispersions from theory and simulation

Cerium(IV)-induced nitration of cinnamic acids. Novel remote electrophilic substitution

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