4.6 Article

Theoretical Investigation of the Mechanism of the Hock Rearrangement with InCl3 as Catalyst

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Organic

Tandem InCl3-Promoted Hydroperoxide Rearrangements and Nucleophilic Additions: A Straightforward Entry to Benzoxacycles

Alexandra E. E. Bosnidou et al.

Summary: This article describes a tandem reaction between a Hock or Criegee oxidative cleavage and a nucleophilic addition onto the oxocarbenium species (specifically a Hosomi-Sakurai-type allylation), catalyzed by InCl3. It was successfully applied to the synthesis of 2-substituted benzoxacycles (chromanes and benzoxepanes), including the synthesis of the 2-(aminomethyl)chromane part of sarizotan and the total synthesis of erythrococcamide B.

JOURNAL OF ORGANIC CHEMISTRY (2023)

Article Chemistry, Inorganic & Nuclear

Alkynophilicity of Group 13 MX3 Salts: A Theoretical Study

Shengwen Yang et al.

Summary: This study revisits the concept of alkynophilicity using group 13 MX3 metal salts, focusing on the reactivity of these salts towards enynes and the role of the X ligand in stabilizing intermediate nonclassical carbocations. Computational calculations reveal the mechanisms of skeletal reorganization and the features required to make a good pi-Lewis acid.

INORGANIC CHEMISTRY (2021)

Review Chemistry, Multidisciplinary

InCl3: A Versatile Catalyst for Synthesizing a Broad Spectrum of Heterocycles

Sanjit K. Mahato et al.

ACS OMEGA (2020)

Article Chemistry, Organic

Benzylic Hydroperoxidation via Visible-Light-Induced Csp3-H Activation

Joan Inoa et al.

JOURNAL OF ORGANIC CHEMISTRY (2020)

Article Chemistry, Organic

The Rearrangement of Peroxides for the Construction of Fluorophoric 1,4-Benzoxazin-3-one Derivatives

Moreshwar B. Chaudhari et al.

ORGANIC LETTERS (2019)

Article Chemistry, Inorganic & Nuclear

From Dialkyltitanium Species to Titanacyclopropanes: An Ab Initio Study

Philippe Bertus

ORGANOMETALLICS (2019)

Article Chemistry, Multidisciplinary

Catalytic Carbonyl-Olefin Metathesis of Aliphatic Ketones: Iron(III) Homo-Dimers as Lewis Acidic Superelectrophiles

Haley Albright et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

Article Chemistry, Physical

Toward Accurate QM/MM Reaction Barriers with Large QM Regions Using Domain Based Pair Natural Orbital Coupled Cluster Theory

Giovanni Bistoni et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)

Review Chemistry, Organic

Indium(iii) as -acid catalyst for the electrophilic activation of carbon-carbon unsaturated systems

Jose Perez Sestelo et al.

ORGANIC & BIOMOLECULAR CHEMISTRY (2018)

Review Chemistry, Organic

Rearrangements of organic peroxides and related processes

Ivan A. Yaremenko et al.

BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY (2016)

Article Chemistry, Multidisciplinary

Cholesterol Autoxidation Revisited: Debunking the Dogma Associated with the Most Vilified of Lipids

Zosia A. M. Zielinski et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)

Article Chemistry, Multidisciplinary

Electron Flow in Reaction Mechanisms-Revealed from First Principles

Gerald Knizia et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

Article Chemistry, Multidisciplinary

A Case Study of the Mechanism of Alcohol-Mediated Morita Baylis-Hillman Reactions. The Importance of Experimental Observations

R. Erik Plata et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)

Article Chemistry, Multidisciplinary

SHELXT - Integrated space-group and crystal-structure determination

George M. Sheldrick

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2015)

Article Chemistry, Multidisciplinary

Crystal structure refinement with SHELXL

George M. Sheldrick

ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY (2015)

Article Chemistry, Organic

Asymmetric chroman synthesis via an intramolecular oxy-Michael addition by bifunctional organocatalysts

Ryota Miyaji et al.

ORGANIC & BIOMOLECULAR CHEMISTRY (2014)

Article Chemistry, Applied

Semisynthetic Artemisinin, the Chemical Path to Industrial Production

Joel Turconi et al.

ORGANIC PROCESS RESEARCH & DEVELOPMENT (2014)

Article Chemistry, Physical

Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts

Gerald Knizia

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Chemistry, Organic

The Rearrangement of tert-Butylperoxides for the Construction of Polysubstituted Furans

Xiaojian Zheng et al.

ORGANIC LETTERS (2013)

Article Chemistry, Multidisciplinary

Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory

Stefan Grimme

CHEMISTRY-A EUROPEAN JOURNAL (2012)

Article Chemistry, Multidisciplinary

Carbon-Oxygen Bond Formation via Organometallic Baeyer-Villiger Transformations: A Computational Study on the Impact of Metal Identity

Travis M. Figg et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

Article Chemistry, Organic

Recent advances in InCl3-catalyzed one-pot organic synthesis

Maya Shankar Singh et al.

TETRAHEDRON (2012)

Review Chemistry, Multidisciplinary

Natural bond orbital methods

Eric D. Glendening et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Article Chemistry, Multidisciplinary

Effect of the Damping Function in Dispersion Corrected Density Functional Theory

Stefan Grimme et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)

Article Chemistry, Organic

Wheland Intermediates: An ab Initio Valence Bond Study

Melodie Hadzic et al.

ORGANIC LETTERS (2011)

Article Chemistry, Physical

A DFT study on the mechanisms of tungsten-catalyzed Baeyer-Villiger reaction using hydrogen peroxide as oxidant

Peng Jin et al.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2011)

Review Chemistry, Organic

Recent Developments in Indium Metal and Its Salts in Organic Synthesis

J. S. Yadav et al.

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (2010)

Article Chemistry, Physical

Continuous surface charge polarizable continuum models of solvation. I. General formalism

Giovanni Scalmani et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

DFT Study on the Hydrogen Bonds of Phenol-Cyclohexanone and Phenol-H2O2 in the Baeyer-Villiger Oxidation

Qingping Long et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)

Software Review Chemistry, Multidisciplinary

OLEX2: a complete structure solution, refinement and analysis program

Oleg V. Dolomanov et al.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2009)

Article Chemistry, Organic

Reinvestigating the role of multiple hydrogen transfers in Baeyer-Villiger reactions

J. Raul Alvarez-Idaboy et al.

JOURNAL OF ORGANIC CHEMISTRY (2007)

Article Chemistry, Organic

The role of hydrogen bonds in Baeyer-Villiger reactions

Shinichi Yamabe et al.

JOURNAL OF ORGANIC CHEMISTRY (2007)

Article Chemistry, Organic

The mechanism of the Baeyer-Villiger rearrangement: quantum chemistry and TST study supported by experimental kinetic data

J. Raul Alvarez-Idaboy et al.

ORGANIC & BIOMOLECULAR CHEMISTRY (2007)

Article Chemistry, Physical

LANL2DZ basis sets recontracted in the framework of density functional theory

S. Chiodo et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Hydrolysis of the anticancer drug cisplatin: Pitfalls in the interpretation of quantum chemical calculations

JKC Lau et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)

Article Chemistry, Physical

Computational study of tin-catalyzed Baeyer-Villiger reaction pathways using hydrogen peroxide as oxidant

RR Sever et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2003)

Article Chemistry, Inorganic & Nuclear

A density functional study of SN2 substitution at square-planar platinum(II) complexes

J Cooper et al.

INORGANIC CHEMISTRY (2002)

Article Chemistry, Physical

Catalytic rearrangement of an aliphatic hydroperoxide

JP Lange et al.

CATALYSIS COMMUNICATIONS (2002)

Article Chemistry, Organic

A theoretical study of the uncatalyzed and BF3-assisted Baeyer-Villiger reactions

P Carlqvist et al.

JOURNAL OF ORGANIC CHEMISTRY (2001)

Article Chemistry, Organic

A novel outcome of the hydroperoxide rearrangement

HJ Hamann et al.

JOURNAL OF ORGANIC CHEMISTRY (2000)