cheminform abstract: substituent-controlled electrocyclization of 2,4-dienones: synthesis of...

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ChemInform 2012, 43, issue 09 © 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim Pyran derivatives R 0340 DOI: 10.1002/chin.201209139 Substituent-Controlled Electrocyclization of 2,4-Dienones: Synthesis of 2,3,6-Tri- substituted 2H-Pyran-5-carboxylates and Their Transformations. — Cyclization of disubstituted enals with acetoacetates in the system piperidine—acetic acid provides access towards trisubstituted pyrancarboxylates, e.g. (III) and (IX). The product pyrancarboxylates are hydrogenated to give dihydropyrans (IV) and (X)/(XI) with moderate to excellent cis-selectivity. Oxidation affords endo-peroxides (V), (XII)/(XIII) by sin- glet oxygen cycloaddition. — (PENG, W.; HIRABARU, T.; KAWAFUCHI, H.; INOKUCHI*, T.; Eur. J. Org. Chem. 2011, 28, 5469-5474, http://dx.doi.org/10.1002/ejoc.201100780 ; Dep. Med. Bioeng. Sci., Grad. Sch. Nat. Sci. Technol., Okayama Univ., Okayama 700, Japan; Eng.) — Mischke 09- 139

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Page 1: ChemInform Abstract: Substituent-Controlled Electrocyclization of 2,4-Dienones: Synthesis of 2,3,6-Trisubstituted 2H-Pyran-5-carboxylates and Their Transformations

Pyran derivativesR 0340 DOI: 10.1002/chin.201209139

Substituent-Controlled Electrocyclization of 2,4-Dienones: Synthesis of 2,3,6-Tri-substituted 2H-Pyran-5-carboxylates and Their Transformations. — Cyclization of disubstituted enals with acetoacetates in the system piperidine—acetic acid provides access towards trisubstituted pyrancarboxylates, e.g. (III) and (IX). The product pyran-carboxylates are hydrogenated to give dihydropyrans (IV) and (X)/(XI) with moderate to excellent cis-selectivity. Oxidation affords endo-peroxides (V), (XII)/(XIII) by sin-glet oxygen cycloaddition. — (PENG, W.; HIRABARU, T.; KAWAFUCHI, H.; INOKUCHI*, T.; Eur. J. Org. Chem. 2011, 28, 5469-5474, http://dx.doi.org/10.1002/ejoc.201100780 ; Dep. Med. Bioeng. Sci., Grad. Sch. Nat. Sci. Technol., Okayama Univ., Okayama 700, Japan; Eng.) — Mischke

09- 139

ChemInform 2012, 43, issue 09 © 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

Page 2: ChemInform Abstract: Substituent-Controlled Electrocyclization of 2,4-Dienones: Synthesis of 2,3,6-Trisubstituted 2H-Pyran-5-carboxylates and Their Transformations

ChemInform 2012, 43, issue 09 © 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

RESEARCHARTICLE Assessingtheinformationcontent ......Rodríguez‑Pérezet al. J Cheminform Page6of14 whichyieldedmedianMCCvaluesof0.67(IFP_85) and0.63(EFCP_folded).us,inhibitorswithbinding

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HYDROCARBONS - Morrison's Site · Web view5-ethyl-2,3,6-trtimethyloctane 2,4,5-trimethylheptane (not 2-ethyl-3,6-dimethylhexane) 10. If chains of equal length are competing for selection

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Database fingerprint (DFP): an approach to represent ... · Fernández‑de Gortari et al. J Cheminform DOI 10.1186/s13321‑017‑0195‑1 PRELIMINARY COMMUNICATION Database fingerprint

ChemInform Sheet A4 · 2013. 9. 13. · The ChemInform Reaction Library (CIRX) helps to deal with the enormous number of published reactions as it does not cover all information available

An Approach to Catalytic Asymmetric Electrocyclization · 2012-07-24 · 2 Project aims 46 3 Results and discussion 47 3.1 Preparation of monomer units 47 3.1.1 Ester desymmetrization

DEPARTMENT OF CHEMISTRY, UNIVESITY OF ...PI, with Prof. R.K. Bansal) Rs. 7,13,200/- UGC, New Delhi, May 2009-April 2012. Pericyclic and Pseudopericyclic Mechanism in 1,5-Electrocyclization

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Domino Twofold Heck / 6π-Electrocyclization and

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Preparatory Problems & SOLUTIONS1. Pericyclic reactions (Cycloaddition and electrocyclization reactions). 2. Nucleophilic substitution reactions at sp2 carbon centers. 3. Spectroscopy:

ChemInform Sheet A4on chemo-, regio-, and stereo-selective reactions. The RefLib database is included with CIRX and provides reactions abstracted from Theilheimer’s Synthetic Methods

Optimising superoscillatory spots for far-field super ... · Optimising superoscillatory spots for far-field super-resolution imaging KATRINE S. ROGERS,1,* KONSTANTINOS N. BOURDAKOS,2,3,6

BIOINFORMATICS Review …“.Jónsdóttir et al. Fig. 1. Number of papers in PubMed 1992–2004 containing the keywords ‘bioinformatics’ (top left), ‘chemoinformatics’ or ‘cheminform-atics’,

Domino Twofold Heck / 6π-Electrocyclization and Regioselective …rosdok.uni-rostock.de/file/rosdok_disshab_0000000594/... · 2018-06-29 · Domino Twofold Heck / 6π-Electrocyclization

Pericyclic Reactions Title Cycloaddition Electrocyclization

APPENDIX FOUR The Development and Scope of an Alternate ...thesis.library.caltech.edu/5107/7/06_Tambar_appendix_4.pdf · The Development and Scope of an Alternate Tandem Stille-Oxa-Electrocyclization

METHODOLOGY Ecientiterativevirtualscreening with … · 2018. 3. 1. · Ahmed et al. J Cheminform Page4of8 10contain‘high-scoring’ligands.eunassignedbin3is excludedfromtraining.Figure

ChemInform RxnFinder

Microwave-Enhanced Synthesis of 2,3,6-Trisubstituted ... · Microwave-Enhanced Synthesis of 2,3,6-Trisubstituted Pyridazines: Application to Four-Step Synthesis of Gabazine (SR-95531)

Filtered circular fingerprints improve either prediction ... · Gütlein and Kramer J Cheminform () DOI 10.1186/s13321-016-0173-z RESEARCH ARTICLE Filtered circular fingerprints improve

Eﬃcient NiII LnIII Electrocyclization Catalysts for the ...sro.sussex.ac.uk/61632/6/acs%2Einorgchem%2E6b00720.pdf · Kieran Griﬃths,† Prashant Kumar,† James D. Mattock,†

spyrmsd: symmetry-corrected RMSD calculations in Python · 2020. 8. 31. · Meli and Biggin J Cheminform Page 3 of 7 usingtheNewton-Raphsonmethod[7]startingfromthe initialguess (GA

Synthetic studies of the Thio-Nazarov Cyclization Biomimetic … · 2018-10-10 · 1 Chapter 1. Progress Towards Thio-Nazarov Electrocyclization 1.1 Introduction Over 60 years ago,

Statistical principle-based approach for gene and protein ... · Lai et al. J Cheminform Page 2 of 9 tobiologicaldatabaserecords.Intheabovecases,“A2A” isasubtypeof“adenosinereceptor”.erefore“A2A

ATTEMPTED SYNTHESIS OF A 2,3,6-TRISUBSTITUTED 5-PYRANONE · and then furnished 2,3,6-trisubstituted-5-pyranone as the main product in this study. IV ... Many of the drugs contain

A CELEBRATION OF PRAISE, TESTIMONIES, AND PRAYERpmcdata.s3.amazonaws.com/pmc-pdfs/Web_Bulletin_03-17-2018.pdf · 3/17/2018 · Scripture Isaiah 55:2,3,6,& 12 • Russell and Cynthia

PRECAUTIONS). DESCRIPTION to 6.5). O-[2,6-diamino- 2,3,6

SmartGraph: a network pharmacology investigation platform · 2020. 1. 21. · Zahoránszky‑Kőhalmi et al. J Cheminform Page 5 of 11 isolatethenearestneighbors.ethird,bottom(infor-mation)panelisusedtovisualizeselectednodeandedge

METHODOLOGY Molecularstructuresenumeration and ......Koch et al. J Cheminform Page5of17 changing4bonds,sinceweaimtondminimaltransfor - mations.Letuscall a 13 and a 24 thetwoﬁxedbonds,with