Theoretical investigation toward organophosphine-catalyzed [3 + 3] annulation of Morita-Baylis-Hillman carbonates with azomethine imines: Mechanism, origin of stereoselectivity, and role of catalyst

Catalyst-Controlled Switch in Chemo- and Diastereoselectivities: Annulations of Morita-Baylis-Hillman Carbonates from Isatins

(2016) Gu Zhan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Phosphine-Catalyzed (4 + 1) Annulation of o-Hydroxyphenyl and o-Aminophenyl Ketones with Allylic Carbonates: Syntheses and Transformations of 3-Hydroxy-2,3-Disubstituted Dihydrobenzofurans and Indolines

(2016) Zifeng Qin et al.   JOURNAL OF ORGANIC CHEMISTRY

Insights into Stereoselective Aminomethylation Reaction of α,β-Unsaturated Aldehyde with N,O-Acetal via N-Heterocyclic Carbene and Brønsted Acid/Base Cooperative Organocatalysis

(2016) Yang Wang et al.   JOURNAL OF ORGANIC CHEMISTRY

A DFT study on NHC-catalyzed intramolecular aldehyde–ketone crossed-benzoin reaction: mechanism, regioselectivity, stereoselectivity, and role of NHC

(2016) Wei Zhang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Phosphine-Catalyzed [3 + 3]-Domino Cycloaddition of Ynones and Azomethine Imines To Construct Functionalized Hydropyridazine Derivatives

(2016) Ling Liang et al.   ORGANIC LETTERS

Enantioselective Synthesis of Spirobarbiturate-Cyclohexenes through Phosphine-Catalyzed Asymmetric [4 + 2] Annulation of Barbiturate-Derived Alkenes with Allenoates

(2016) Honglei Liu et al.   ORGANIC LETTERS

Enantioselective [4 + 2]-Annulation of Oxadienes and Allenones Catalyzed by an Amino Acid Derived Phosphine: Synthesis of Functionalized Dihydropyrans

(2016) Huanzhen Ni et al.   ORGANIC LETTERS

A computational study on the N-heterocyclic carbene-catalyzed Csp2–Csp3 bond activation/[4+2] cycloaddition cascade reaction of cyclobutenones with imines: a new application of the conservation principle of molecular orbital symmetry

(2016) Yang Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT perspective toward [3 + 2] annulation reaction of enals with α-ketoamides through NHC and Brønsted acid cooperative catalysis: mechanism, stereoselectivity, and role of NHC

(2016) Yang Wang et al.   Organic Chemistry Frontiers

Phosphahelicenes in Asymmetric Organocatalysis: [3+2] Cyclizations of γ-Substituted Allenes and Electron-Poor Olefins

(2015) Maxime Gicquel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Phosphine-catalyzed dearomatizing [3+2] annulations of isoquinolinium methylides with allenes

(2015) Zhi-Jun Jia et al.   CHEMICAL COMMUNICATIONS

A DFT study on the competing mechanisms of PPh3-catalyzed [3+3] and [3+2] annulations between 5-acetoxypenta-2,3-dienoate and 1C,3O-bisnucleophiles

(2015) Shijun Li et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Theoretical Investigations toward the Asymmetric Insertion Reaction of Diazoester with Aldehyde Catalyzed by N-Protonated Chiral Oxazaborolidine: Mechanisms and Stereoselectivity

(2015) Yang Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Phosphine-Catalyzed Highly Enantioselective [3 + 3] Cycloaddition of Morita–Baylis–Hillman Carbonates with C,N-Cyclic Azomethine Imines

(2015) Lei Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles

(2015) Søren Kramer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Morita–Baylis–Hillman adduct derivatives (MBHADs): versatile reactivity in Lewis base-promoted annulation

(2015) Peizhong Xie et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Highly Enantioselective [3 + 2]-Annulation of Isatin-Derived Morita–Baylis–Hillman Adducts with Cyclic Sulfonimines

(2015) Feng Wei et al.   ORGANIC LETTERS

nBu3P-Catalyzed Desulfonylative [3 + 2] Cycloadditions of Allylic Carbonates with Arylazosulfones to Pyrazole Derivatives

(2015) Qi Zhang et al.   ORGANIC LETTERS

Mechanistic insights into cobalt(ii/iii)-catalyzed C–H oxidation: a combined theoretical and experimental study

(2015) Xiao-Kang Guo et al.   Chemical Science

Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones

(2015) De Wang et al.   Chemical Science

A quantum mechanical study of the mechanism and stereoselectivity of the N-heterocyclic carbene catalyzed [4 + 2] annulation reaction of enals with azodicarboxylates

(2015) Yang Wang et al.   Organic Chemistry Frontiers

Phosphine catalysis of allenes with electrophiles

(2014) Zhiming Wang et al.   CHEMICAL SOCIETY REVIEWS

A density functional theory study on lewis acid-catalyzed transesterification of β-oxodithioesters

(2014) Xiaokang Guo et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

A Computational Study: Reactivity Difference between Phosphine- and Amine-Catalyzed Cycloadditions of Allenoates and Enones

(2014) Gou-Tao Huang et al.   JOURNAL OF ORGANIC CHEMISTRY

DFT Study on the Mechanisms and Diastereoselectivities of Lewis Acid-Promoted Ketene–Alkene [2 + 2] Cycloadditions: What is the Role of Lewis Acid in the Ketene and C = X (X = O, CH2, and NH) [2 + 2] Cycloaddition Reactions?

(2014) Yang Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

N-Heterocyclic Carbene-Catalyzed Chemoselective Cross-Aza-Benzoin Reaction of Enals with Isatin-Derived Ketimines: Access to Chiral Quaternary Aminooxindoles

(2014) Jianfeng Xu et al.   ORGANIC LETTERS

Chemoselective Synthesis of Trifluoromethylated γ-Butenolide Derivatives via Phosphine-Promoted Tandem Reaction of Allylic Carbonates and Trifluoromethyl Ketones

(2014) Hua Xiao et al.   ORGANIC LETTERS

Phosphine-Catalyzed Annulation Reactions of 2-Butynoate and α-Keto Esters: Synthesis of Cyclopentene Derivatives

(2014) Curren T. Mbofana et al.   ACS Catalysis

Highly regio- and diastereoselective construction of spirocyclopenteneoxindole phosphonates through a phosphine-catalyzed [3 + 2] annulation reaction

(2014) Chengbin Yu et al.   RSC Advances

Highly diastereo- and enantioselective [3+2] annulation of isatin-derived Morita–Baylis–Hillman carbonates with trifluoropyruvate catalyzed by tertiary amines

(2013) Neng-Jun Zhong et al.   CHEMICAL COMMUNICATIONS

Phosphine-catalyzed [3+2] annulation of α-substituted allenoates with ester-activated α,β-unsaturated imines: a novel variation of the Lu [3+2] cycloaddition reaction

(2013) Junjun Tian et al.   CHEMICAL COMMUNICATIONS

A density functional theory study on the catalytic mechanism of hydroxycinnamoyl-CoA hydratase-lyase

(2013) Guangcai Ma et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Phosphine-Catalyzed [4 + 2] Annulation of γ-Substituent Allenoates: Facile Access to Functionalized Spirocyclic Skeletons

(2013) Erqing Li et al.   ORGANIC LETTERS

Catalytic Asymmetric [4+2] Annulation Initiated by an Aza-Rauhut-Currier Reaction: Facile Entry to Highly Functionalized Tetrahydropyridines

(2012) Zugui Shi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Phosphine-catalyzed asymmetric [4+1] annulation of Morita–Baylis–Hillman carbonates with dicyano-2-methylenebut-3-enoates

(2012) Xiao-nan Zhang et al.   CHEMICAL COMMUNICATIONS

[4+2] Annulation of Vinyl Ketones Initiated by a Phosphine-Catalyzed Aza-Rauhut-Currier Reaction: A Practical Access to Densely Functionalized Tetrahydropyridines

(2012) Zugui Shi et al.   CHEMISTRY-A EUROPEAN JOURNAL

The role of benzoic acid in proline-catalyzed asymmetric michael addition: A density functional theory study

(2012) Hongwei Shi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

A mechanism for the addition of ethylene to nickel bis-dithiolene

(2012) Mohamed F. Shibl et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Theoretical Investigations toward the [4 + 2] Cycloaddition of Ketenes with N-Benzoyldiazenes Catalyzed by N-Heterocyclic Carbenes: Mechanism and Enantioselectivity

(2012) Wenjing Zhang et al.   JOURNAL OF ORGANIC CHEMISTRY

Fundamental Reaction Pathway and Free Energy Profile for Inhibition of Proteasome by Epoxomicin

(2012) Donghui Wei et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Elucidation of the reaction mechanisms and diastereoselectivities of phosphine-catalyzed [4 + 2] annulations between allenoates and ketones or aldimines

(2012) Yan Qiao et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Phosphine-catalyzed domino reaction: an efficient method for the synthesis of highly functionalized spirooxazolines

(2012) Lihua Yang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

A Frontier Molecular Orbital Theory Approach to Understanding the Mayr Equation and to Quantifying Nucleophilicity and Electrophilicity by Using HOMO and LUMO Energies

(2012) Lian-Gang Zhuo et al.   Asian Journal of Organic Chemistry

Highly Enantioselective [3+2] Annulation of Morita-Baylis-Hillman Adducts Mediated by L-Threonine-Derived Phosphines: Synthesis of 3-Spirocyclopentene-2-oxindoles having Two Contiguous Quaternary Centers

(2011) Fangrui Zhong et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Quantum Mechanical Investigations of Organocatalysis: Mechanisms, Reactivities, and Selectivities

(2011) Paul Ha-Yeon Cheong et al.   CHEMICAL REVIEWS

Density functional theory study of the regio- and stereoselectivity of diels-alder reactions of 5-Aryl-2-pyrones

(2011) Hafida Chemouri et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Substituent effect on the reaction mechanism of proton transfer in formamide

(2011) Heidar Raissi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Highly Regio- and Diastereoselective Construction of Spirocyclopenteneoxindoles through Phosphine-Catalyzed [3 + 2] Annulation of Morita–Baylis–Hillman Carbonates with Isatylidene Malononitriles

(2011) Hong-Ping Deng et al.   ORGANIC LETTERS

Phosphine-Catalyzed Cascade [3 + 2] Cyclization−Allylic Alkylation, [2 + 2 + 1] Annulation, and [3 + 2] Cyclization Reactions between Allylic Carbonates and Enones

(2011) Rong Zhou et al.   ORGANIC LETTERS

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

(2011) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Multifunctional Chiral Phosphine Organocatalysts in Catalytic Asymmetric Morita−Baylis−Hillman and Related Reactions

(2010) Yin Wei et al.   ACCOUNTS OF CHEMICAL RESEARCH

Phosphine-Promoted [3 + 3] Annulations of Aziridines With Allenoates: Facile Entry Into Highly Functionalized Tetrahydropyridines

(2009) Hongchao Guo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Mechanism, Regioselectivity, and the Kinetics of Phosphine-Catalyzed [3+2] Cycloaddition Reactions of Allenoates and Electron-Deficient Alkenes

(2008) Yong Liang et al.   CHEMISTRY-A EUROPEAN JOURNAL