Evaluation of logPo/w values of drugs from some molecular structure calculation software

The iridium‐catalyzed asymmetric hydrogenation of several N‐sulfonyl allyl amines is reported. All substrates can be easily obtained by the Ir‐catalyzed isomerization of N‐tosylaziridines reported previously. The commercially available threonine‐derived phosphinite (UbaPHOX) iridium complex has been...

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Bibliographic Details
Authors: Pallicer Santana, Juan Manuel, Rosés Pascual, Martí, Ràfols Llach, Clara, Bosch, Elisabeth, Pascual, Rosalía, Port, Ariadna
Format: article
Status:Published version
Publication Date:2014
Country:España
Institution:Universidad de Barcelona
Repository:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/143378
Online Access:https://hdl.handle.net/2445/143378
Access Level:Open access
Keyword:Lipofília
Química farmacèutica
Lipophilicity
Pharmaceutical chemistry
Description
Summary:The iridium‐catalyzed asymmetric hydrogenation of several N‐sulfonyl allyl amines is reported. All substrates can be easily obtained by the Ir‐catalyzed isomerization of N‐tosylaziridines reported previously. The commercially available threonine‐derived phosphinite (UbaPHOX) iridium complex has been found to be the best catalyst for this catalytic application, affording β‐methyl amines with good to excellent ee values (up to 94%). The synthetic potential of this novel methodology was demonstrated by the formal synthesis of Lorcaserin and LY‐404187.