Computation data for Total Synthesis of (+)-Lophirone H and its Pentamethylether Utilizing an Oxonium-Prins Cyclisation

DOI: 10.14469/hpc/2014 Metadata

Created: 2017-01-03 11:38

Last modified: 2018-03-23 10:11

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Co-author: Alan Spivey

Description

Computational data obtained using Gaussian 09, revisions D.01 and E.01

Member of collection / collaboration

DOIDescription
10.14469/hpc/436 Total Synthesis of (+)-Lophirone H and its Pentamethylether Utilizing an Oxonium-Prins Cyclisation

Members

DOIDescription
10.14469/hpc/2013 Reactant for cis ring fusion for reaction reported in 10.1021/acs.joc.5b01641
10.14469/hpc/438 TS2 for cis ring fusion, SnCl3, IRC
10.14469/hpc/441 TS1 for cis ring fusion, SnCl3, IRC
10.14469/hpc/437 Attempt to find TS2 for trans ring fusion, SnCl3
10.14469/hpc/2012 Product for cis ring fusion, SnCl3
10.14469/hpc/2011 Intermediate for cis ring fusion, SnCl3
10.14469/hpc/467 TS1 for trans ring fusion for reaction reported in 10.1021/acs.joc.5b01641
10.14469/hpc/468 TS1 for cis ring fusion for reaction reported in 10.1021/acs.joc.5b01641
10.14469/hpc/2010 Reactant for cis ring fusion, SnCl3

Associated DOIs

Current dataset ...DOIDescription
References 10.1021/acs.joc.5b01641 Synthesis of Furo[3,2-c]benzopyrans via an Intramolecular [4 + 2] Cycloaddition Reaction of o-Quinonemethides
References 10.14469/ch/192067 TS2 for cis ring fusion, SnCl3, Def2-TZVPP + GD3BJ
References 10.14469/ch/192284 TS1 for cis ring fusion, SnCl3, Def2-TZVPP + GD3BJ
References 10.14469/ch/192632 TS1 for trans ring fusion, SnCl3, Def2-TZVPP + GD3BJ

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