title: Influence of polarity on the scalability and reproducibility of solvent-free microwave-assisted reactions.
abstract: Organic reactions performed in the absence of solvent in domestic ovens without appropriate temperature control are generally considered as not reproducible, particularly when different instruments are used. For this reason, reproducibility has historically been one of the major issues associated with Microwave-Assisted Organic Synthesis (MAOS) especially when domestic ovens are involved. The lack of reproducibility limits the general applicability and the scale up of these reactions. In this work several solvent-free reactions previously carried out in domestic ovens have been translated into a single-mode microwave reactor and then scaled up in a multimode oven. The results show that most of these reactions, although not considered as reproducible, can be easily updated and applied in microwave reactors using temperature-controlled conditions. Furthermore, computational calculations can assist to explain and/or predict whether a reaction will be reproducible or not.
authors.affiliation: Dpto. Q. Orgánica, Q. Inorgánica y Bioquímica, Facultad Química, Universidad de Castilla-La Mancha, E-13071 Ciudad Real, Spain. Angel.Diaz@uclm.es
authors.forename: Angel
authors.initials: A
authors.lastname: Díaz-Ortiz
authors.forename: Antonio
authors.initials: A
authors.lastname: de la Hoz
authors.forename: Jesús
authors.initials: J
authors.lastname: Alcázar
authors.forename: José R
authors.initials: JR
authors.lastname: Carrillo
authors.forename: María A
authors.initials: MA
authors.lastname: Herrero
authors.forename: Alberto
authors.initials: A
authors.lastname: Fontana
authors.forename: Juan de M
authors.initials: Jde M
authors.lastname: Muñoz
authors.forename: Pilar
authors.initials: P
authors.lastname: Prieto
authors.forename: Abel
authors.initials: A
authors.lastname: de Cózar
mesh_terms: D000478:Alkylation; D000814:Aniline Compounds / Q000737:chemistry; D001965:Bromides / Q000737:chemistry; D002625:Chemistry, Organic / Q000379:methods; D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D008872:Microwaves; D010084:Oxidation-Reduction; D011725:Pyridines / Q000737:chemistry; D015203:Reproducibility of Results; D013696:Temperature; D013890:Thiourea / Q000737:chemistry; D014230:Triazoles / Q000737:chemistry; D014508:Urea / Q000737:chemistry
chemical_list: D000814:Aniline Compounds; D001965:Bromides; D011725:Pyridines; D014230:Triazoles; C012771:benzotriazole; D014508:Urea; C013229:pyridine N-oxide; D013890:Thiourea; C023650:aniline