Synthesis and isolation of bromo-β-carbolines obtained by bromination of β-carboline alkaloids

β-Carbolines (1-5) undergo electrophilic aromatic substitution with N-bromosuccinimide under different experimental conditions. Although 6-bromo-nor-harmane (1a) obtained by bromination of nor-harmane (1) was isolated and fully characterized sometime ago, the other bromoderivatives of nor-harmane (1...

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Autor principal: Ponce, M.A
Otros Autores: Erra-Balsells, R.
Formato: Capítulo de libro
Lenguaje:Inglés
Publicado: HeteroCorporation 2001
Acceso en línea:Registro en Scopus
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100 1 |a Ponce, M.A. 
245 1 0 |a Synthesis and isolation of bromo-β-carbolines obtained by bromination of β-carboline alkaloids 
260 |b HeteroCorporation  |c 2001 
270 1 0 |m Erra-Balsells, R.; Departamento de Quimica Organica, Fac. de Ciencias Exactas y Naturales, Universidad de Buenos Aires, 3 Ciudad Universitaria, 1428 Buenos Aires, Argentina 
506 |2 openaire  |e Política editorial 
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504 |a Biondic, M.C., Erra-Balsells, R., (1990) J. Photochem. Photobiol., A.: Chem., 51, p. 341 
504 |a Biondic, M.C., Erra-Balsells, R., (1992) J. Chem. Soc., Perkin Trans. 2, p. 1049 
504 |a Biondic, M.C., Erra-Balsells, R., (1993) J. Chem. Soc., Perkin Trans. 2, p. 887 
504 |a Biondic, M.C., Erra-Balsells, R., (1994) J. Photochem. Photobiol., A: Chem., 77, p. 149 
504 |a Biondic, M.C., Erra-Balsells, R., (1997) J. Chem. Soc., Perkin Trans. 2, p. 1323 
504 |a Biondic, M.C., Erra-Balsells, R., (1998) J. Chem. Res., (S), p. 114 
504 |a Nonami, H., Fukui, S., Erra-Balsells, R., (1997) J. Mass Spectrom., 32, p. 287 
504 |a Nonami, H., Tanaka, K., Fukuyama, Y., Erra-Balsells, R., (1998) Rapid Commun. Mass Spectrom., 12, p. 285 
504 |a Nonami, H., Orcoyen, M., Fukuyama, Y., Biondic, M.C., Erra-Balsells, R., (1998) An. Asoc. Quim. Argentina, 86, p. 81 
504 |a Tanaka, K., Nonami, H., Fukuyama, Y., Erra-Balsells, R., (1998) Proceedings of the 46th ASMS Conference on Mass Spectrometry and Allied Topics, , Orlando, Florida, May 31 - June 4 
504 |a Ponce, M.A., Erra-Balsells, R., Synthesis and isolation of nitro-βcarbolines obtained by nitration of commercial β-carboline alkaloids J. Heterocyclic Chem., , submitted 
504 |a Turro, N.J., (1978) Modem Molecular Photochemistry, , The Benjamin Cummings Publishing Company, Inc., California 
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504 |a Rinehart K.L., Jr., Kobayashi, J., Harbour, G.C., Gilmore, J., Mascal, M., Holt, T.G., Shield, L.S., Lafargue, F., (1987) J. Am. Chem. Soc., 109, p. 3378 
504 |a Paquette, L.A., (1997) Encyclopedia of reagents for organic synthesis, pp. 768-772. , John Wiley and Sons Inc., New York 
504 |a Fieser, L.F., Fieser, M., (1967) Reagents for organic synthesis, pp. 78-80. , John Wiley and Sons Inc., New York 
504 |a Satish Goud, B., Desiraju, G.R., (1995) J. Chem. Res. (S), p. 244 
504 |a Sarma, J.A.R.P., Nagaraju, A., (2000) J. Chem. Soc., Perkin Trans. 2, p. 1113 
504 |a Toda, F., (1993) Syn. Lett., 8, p. 303 
504 |a Seebach, D., (1990) Angew. Chem., Int. Ed. Engl., 29, p. 1320 
504 |a Desiraju, G.R., (1987) Organic Solid State Chemistry, , Elsevier, Amsterdam 
504 |a Katritzky, A.R., Ridgewell, B.J., (1963) J. Chem. Soc., p. 3743 
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504 |a Kauffmann, T., (1965) Angew. Chem. Int. Ed., 4, p. 543 
504 |a Kohen Cohen, C.C., Ponce, M.A., Erra-Balsells, R., unpublished results; Sarma, J.A.R.P., Nagaraju, A., Majumdar, K.K., Samiel, P.M., Das, I., Roy, S., McGhie, A.J., (2000) J. Chem. Soc., Perkin Trans. 2, p. 1119 
504 |a (1996) HyperChem TM 5.1 Suite, , Hypercube, Ontario 
520 3 |a β-Carbolines (1-5) undergo electrophilic aromatic substitution with N-bromosuccinimide under different experimental conditions. Although 6-bromo-nor-harmane (1a) obtained by bromination of nor-harmane (1) was isolated and fully characterized sometime ago, the other bromoderivatives of nor-harmane (1b-1e) and harmane (2a-2e) were partially described as part of the reaction mixtures. The preparation and subsequent isolation, purification and full characterization of 1b, 1c, 1d, 1e, 2a, 2b, 2c, 2d, 2e are reported (mp, Rf, 1H-nmr, 13C-nmr and ms) together with the preparation, isolation and charaterization, for the first time, of the bromoderivatives obtained from harmine (3a-3e), harmol (4a, 4b) and 7-acetylharmol (5a-5c). As brominating reagent N-bromosuccinimide and N-bromosuccinimide-silica gel in dichloromethane and in chloroform as well as the β-carboline - N-bomosuccinimide solid mixture have been used and their uses have been compared. Semiempirical AM1 and PM3 calculations have been performed in order to predict reactivity in terms of the energies of HOMO, HOMO-LUMO difference and in terms of the charge density of β-carbolines (1-5) and bromo-β-carbolines (1a-1e, 2a-2e, 3a-3e, 4a, 4b, 5a, 5b and 5c) (Scheme 1). Theoretical and experimental results are discussed briefly.  |l eng 
593 |a Departamento de Quimica Organica, Fac. de Ciencias Exactas y Naturales, Universidad de Buenos Aires, 3 Ciudad Universitaria, 1428 Buenos Aires, Argentina 
690 1 0 |a CARBOLINE DERIVATIVE 
690 1 0 |a REAGENT 
690 1 0 |a ARTICLE 
690 1 0 |a BROMINATION 
690 1 0 |a CALCULATION 
690 1 0 |a CHEMICAL ANALYSIS 
690 1 0 |a CHEMICAL STRUCTURE 
690 1 0 |a DENSITY 
690 1 0 |a ELECTRICITY 
690 1 0 |a ENERGY 
690 1 0 |a GEOMETRY 
690 1 0 |a ISOLATION AND PURIFICATION 
690 1 0 |a PURIFICATION 
690 1 0 |a REACTION ANALYSIS 
700 1 |a Erra-Balsells, R. 
773 0 |d HeteroCorporation, 2001  |g v. 38  |h pp. 1087-1095  |k n. 5  |p J. Heterocycl. Chem.  |x 0022152X  |w (AR-BaUEN)CENRE-780  |t Journal of Heterocyclic Chemistry 
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856 4 0 |u https://doi.org/10.1002/jhet.5570380512  |y DOI 
856 4 0 |u https://hdl.handle.net/20.500.12110/paper_0022152X_v38_n5_p1087_Ponce  |y Handle 
856 4 0 |u https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_0022152X_v38_n5_p1087_Ponce  |y Registro en la Biblioteca Digital 
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