ONE-POT SYNTHESIS OF 2-ACYLAMINOBENZIMIDAZOLES FROM THE REACTION BETWEEN TRICHLOROACETYL ISOCYANATE AND 1,2-PHENYLENEDIAMINE DERIVATIVES AND THEORETICAL STUDY OF STRUCTURE AND PROPERTIES OF SYNTHESIZED 2-ACYLAMINOBENZIMIDAZOLES

ABSTRACT The two-component reaction of 1,2-phenylenediamine derivatives and trichloroacetyl isocyanate proceeded smoothly and cleanly at room temperature and N-(1H-benzimidazol-2-yl) acetamide derivatives afforded in excellent yields and no side reactions were observed. The structures of the product...

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Autores principales:	Shajari,Nahid, Ghiasi,Reza, Ramazani,Ali
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2018
Materias:	two-component reaction 1,2-phenylenediamine trichloroacetyl isocyanate heterocycle benzimidazol GIAO method NBO analysis
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072018000203968
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spelling	oai:scielo:S0717-970720180002039682018-07-19ONE-POT SYNTHESIS OF 2-ACYLAMINOBENZIMIDAZOLES FROM THE REACTION BETWEEN TRICHLOROACETYL ISOCYANATE AND 1,2-PHENYLENEDIAMINE DERIVATIVES AND THEORETICAL STUDY OF STRUCTURE AND PROPERTIES OF SYNTHESIZED 2-ACYLAMINOBENZIMIDAZOLESShajari,NahidGhiasi,RezaRamazani,Ali two-component reaction 1,2-phenylenediamine trichloroacetyl isocyanate heterocycle benzimidazol GIAO method NBO analysis ABSTRACT The two-component reaction of 1,2-phenylenediamine derivatives and trichloroacetyl isocyanate proceeded smoothly and cleanly at room temperature and N-(1H-benzimidazol-2-yl) acetamide derivatives afforded in excellent yields and no side reactions were observed. The structures of the products were confirmed by IR,1H NMR, 13C NMR, and elemental analysis. Also, in this investigation, the structural, electronic properties, IR, 13C and 1H NMR parameters of synthesized molecules were computed in gas in the M062X/6-311G(d,p) level of theory. 1H and 13C NMR chemical shifts were evaluated by employing of the gauge-invariant atomic orbital (GIAO) method. NBO analysis was exploited to examining of the atomic charges and their second order stabilization energy within these molecules.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.63 n.2 20182018-06-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072018000203968en10.4067/s0717-97072018000203968
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	two-component reaction 1,2-phenylenediamine trichloroacetyl isocyanate heterocycle benzimidazol GIAO method NBO analysis
spellingShingle	two-component reaction 1,2-phenylenediamine trichloroacetyl isocyanate heterocycle benzimidazol GIAO method NBO analysis Shajari,Nahid Ghiasi,Reza Ramazani,Ali ONE-POT SYNTHESIS OF 2-ACYLAMINOBENZIMIDAZOLES FROM THE REACTION BETWEEN TRICHLOROACETYL ISOCYANATE AND 1,2-PHENYLENEDIAMINE DERIVATIVES AND THEORETICAL STUDY OF STRUCTURE AND PROPERTIES OF SYNTHESIZED 2-ACYLAMINOBENZIMIDAZOLES
description	ABSTRACT The two-component reaction of 1,2-phenylenediamine derivatives and trichloroacetyl isocyanate proceeded smoothly and cleanly at room temperature and N-(1H-benzimidazol-2-yl) acetamide derivatives afforded in excellent yields and no side reactions were observed. The structures of the products were confirmed by IR,1H NMR, 13C NMR, and elemental analysis. Also, in this investigation, the structural, electronic properties, IR, 13C and 1H NMR parameters of synthesized molecules were computed in gas in the M062X/6-311G(d,p) level of theory. 1H and 13C NMR chemical shifts were evaluated by employing of the gauge-invariant atomic orbital (GIAO) method. NBO analysis was exploited to examining of the atomic charges and their second order stabilization energy within these molecules.
author	Shajari,Nahid Ghiasi,Reza Ramazani,Ali
author_facet	Shajari,Nahid Ghiasi,Reza Ramazani,Ali
author_sort	Shajari,Nahid
title	ONE-POT SYNTHESIS OF 2-ACYLAMINOBENZIMIDAZOLES FROM THE REACTION BETWEEN TRICHLOROACETYL ISOCYANATE AND 1,2-PHENYLENEDIAMINE DERIVATIVES AND THEORETICAL STUDY OF STRUCTURE AND PROPERTIES OF SYNTHESIZED 2-ACYLAMINOBENZIMIDAZOLES
title_short	ONE-POT SYNTHESIS OF 2-ACYLAMINOBENZIMIDAZOLES FROM THE REACTION BETWEEN TRICHLOROACETYL ISOCYANATE AND 1,2-PHENYLENEDIAMINE DERIVATIVES AND THEORETICAL STUDY OF STRUCTURE AND PROPERTIES OF SYNTHESIZED 2-ACYLAMINOBENZIMIDAZOLES
title_full	ONE-POT SYNTHESIS OF 2-ACYLAMINOBENZIMIDAZOLES FROM THE REACTION BETWEEN TRICHLOROACETYL ISOCYANATE AND 1,2-PHENYLENEDIAMINE DERIVATIVES AND THEORETICAL STUDY OF STRUCTURE AND PROPERTIES OF SYNTHESIZED 2-ACYLAMINOBENZIMIDAZOLES
title_fullStr	ONE-POT SYNTHESIS OF 2-ACYLAMINOBENZIMIDAZOLES FROM THE REACTION BETWEEN TRICHLOROACETYL ISOCYANATE AND 1,2-PHENYLENEDIAMINE DERIVATIVES AND THEORETICAL STUDY OF STRUCTURE AND PROPERTIES OF SYNTHESIZED 2-ACYLAMINOBENZIMIDAZOLES
title_full_unstemmed	ONE-POT SYNTHESIS OF 2-ACYLAMINOBENZIMIDAZOLES FROM THE REACTION BETWEEN TRICHLOROACETYL ISOCYANATE AND 1,2-PHENYLENEDIAMINE DERIVATIVES AND THEORETICAL STUDY OF STRUCTURE AND PROPERTIES OF SYNTHESIZED 2-ACYLAMINOBENZIMIDAZOLES
title_sort	one-pot synthesis of 2-acylaminobenzimidazoles from the reaction between trichloroacetyl isocyanate and 1,2-phenylenediamine derivatives and theoretical study of structure and properties of synthesized 2-acylaminobenzimidazoles
publisher	Sociedad Chilena de Química
publishDate	2018
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072018000203968
work_keys_str_mv	AT shajarinahid onepotsynthesisof2acylaminobenzimidazolesfromthereactionbetweentrichloroacetylisocyanateand12phenylenediaminederivativesandtheoreticalstudyofstructureandpropertiesofsynthesized2acylaminobenzimidazoles AT ghiasireza onepotsynthesisof2acylaminobenzimidazolesfromthereactionbetweentrichloroacetylisocyanateand12phenylenediaminederivativesandtheoreticalstudyofstructureandpropertiesofsynthesized2acylaminobenzimidazoles AT ramazaniali onepotsynthesisof2acylaminobenzimidazolesfromthereactionbetweentrichloroacetylisocyanateand12phenylenediaminederivativesandtheoreticalstudyofstructureandpropertiesofsynthesized2acylaminobenzimidazoles
_version_	1714200925420126208

ONE-POT SYNTHESIS OF 2-ACYLAMINOBENZIMIDAZOLES FROM THE REACTION BETWEEN TRICHLOROACETYL ISOCYANATE AND 1,2-PHENYLENEDIAMINE DERIVATIVES AND THEORETICAL STUDY OF STRUCTURE AND PROPERTIES OF SYNTHESIZED 2-ACYLAMINOBENZIMIDAZOLES

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