Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C6H6 |
| Molecular Weight | 78.1118 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C=C1C=CC=C1
InChI
InChIKey=PGTKVMVZBBZCKQ-UHFFFAOYSA-N
InChI=1S/C6H6/c1-6-4-2-3-5-6/h2-5H,1H2
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| New and efficient routes to biomolecules substituted with cyclopentadienyltricarbonylrhenium and -technetium derivatives. | 2001 Jun 1 |
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| A doubly destabilized antiaromatic cyclopentadienyl cation: solvolysis of a 5-trifluoroacetoxy-5-heptafluoropropyl 1,3-cyclopentadiene. | 2001 Nov 16 |
|
| Nitroxyl radical addition to pentafulvenones forming cyclopentadienyl radicals: a test for cyclopentadienyl radical destabilization. | 2001 Nov 2 |
|
| Syntheses and structures of Ag(I)-containing coordination polymers and Co(II)-containing supramolecular complex based on novel fulvene ligands. | 2004 Jul 26 |
|
| Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene. | 2005 Dec 29 |
|
| Intramolecular Diels-Alder cycloadditions of fulvenes. Application to the kigelinol, neoamphilectane, and kempane skeletons. | 2005 Feb 17 |
|
| Identity hydride-ion transfer from C-H donors to C acceptor sites. Enthalpies of hydride addition and enthalpies of activation. Comparison with C...H...C proton transfer. An ab initio study. | 2005 Feb 23 |
|
| Isomeric product distributions from the self-reaction of propargyl radicals. | 2005 Jul 14 |
|
| A systematically generated, pressure-dependent mechanism for high-conversion ethane pyrolysis. 2. Radical disproportionations, missing reaction families, and the consequences of pressure dependence. | 2005 Jun 23 |
|
| Organometallic silver(I) supramolecular complexes generated from multidentate furan-containing symmetric and unsymmetric fulvene ligands and silver(I) salts. | 2005 Mar 21 |
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| The virtue of palladium-catalyzed domino reactions - diverse oligocyclizations of acyclic 2-bromoenynes and 2-bromoenediynes. | 2005 May |
|
| Reductive Bergman-type cyclizations of cross-conjugated enediynes to fulvene and fulvalene anions: the role of the substituent. | 2006 Apr 12 |
|
| An optimized semidetailed submechanism of benzene formation from propargyl recombination. | 2006 Feb 16 |
|
| Two-photon excitation of substituted enediynes. | 2006 Jan 12 |
|
| Protected 32P-labels in deoxyribonucleotides: investigation of sequence selectivity of DNA photocleavage by enediyne-, fulvene-, and acetylene-lysine conjugates. | 2006 May 26 |
|
| Ring-expansion reactions in the thermal decomposition of tert-butyl-1,3-cyclopentadiene. | 2006 Nov 30 |
|
| Synthesis of chromium(0) and molybdenum(0) bis (eta(6)-arene) derivatives and their monoelectronic oxidation to [M(eta(6)-arene)(2)](+) cations. | 2006 Sep 21 |
|
| Scope and limitations of Baird's theory on triplet state aromaticity: application to the tuning of singlet-triplet energy gaps in fulvenes. | 2007 |
|
| Ab initio and DFT study of the aromaticity of some Fulvalenes derived from Methylidenecyclopropabenzene. | 2007 Aug |
|
| Quantum chemical study of the thermal decomposition of o-quinone methide (6-methylene-2,4-cyclohexadien-1-one). | 2007 Aug 16 |
|
| Iodine assisted palladium catalyzed ring opening of bicyclic hydrazines with organoboronic acids: stereoselective synthesis of functionalized cyclopentenes and alkylidene cyclopentenes. | 2007 Dec 21 |
|
| Toward separation of nuclear spin isomers with coherent light. | 2007 Feb 2 |
|
| The reaction of n- and i-C4H5 radicals with acetylene. | 2007 May 17 |
|
| Combustion modeling and kinetic rate calculations for a stoichiometric cyclohexane flame. 1. Major reaction pathways. | 2007 May 17 |
|
| Fulvene dialdehyde strategy for adj-dicarbaporphyrinoid synthesis: preparation of a 22-carbaazuliporphyrin. | 2007 Nov 14 |
|
| Homogeneous catalytic reduction of dioxygen using transfer hydrogenation catalysts. | 2007 Nov 21 |
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| Synthesis and cytotoxicity studies of titanocene C analogues. | 2008 |
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| Novel achiral titanocene anti-cancer drugs synthesised from bis-N,N-dimethylamino fulvene and lithiated heterocyclic compounds. | 2008 Apr |
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| Bioorganometallic fulvene-derived titanocene anti-cancer drugs. | 2008 Jun |
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| Synthesis and cytotoxicity studies of new morpholino-functionalised and N-heteroaryl-substituted titanocene anticancer drugs. | 2008 Mar |
|
| Photochemical C2-C6 cyclization of enyne-allenes: detection of a fulvene triplet diradical in the laser flash photolysis. | 2008 Nov 21 |
|
| Synthesis, reactivity and molecular structure of phosphino tetramethyl cyclopentadienyl complex (eta5: eta1-C5Me4CH2PPh2)Re(CO)2. | 2009 Apr 28 |
|
| The photochemical C2-C6 cyclization of enyne-allenes: interception of the fulvene diradical with a radical clock ring opening. | 2009 Aug 21 |
|
| Economical post-CCSD(T) computational thermochemistry protocol and applications to some aromatic compounds. | 2009 Jul 2 |
|
| Quantum dynamical simulations for nuclear spin selective laser control of ortho- and para-fulvene. | 2009 Jul 21 |
|
| Size- and solvent-dependent kinetics for cis-trans isomerization in donor-acceptor systems. | 2009 Jun |
|
| Photoinduced quantum dynamics of ortho- and para-fulvene: hindered photoisomerization due to mode selective fast radiationless decay via a conical intersection. | 2009 Mar 28 |
|
| A universal scale of aromaticity for pi-organic compounds. | 2010 Apr 15 |
|
| Intracellular DNA damage by lysine-acetylene conjugates. | 2010 Aug 9 |
|
| Controlling the mechanism of fulvene S(1)/S(0) decay: switching off the stepwise population transfer. | 2010 Dec 28 |
|
| Substituent effects on the electron affinities and ionization energies of tria-, penta-, and heptafulvenes: a computational investigation. | 2010 Dec 3 |
|
| Reaction of the C2H radical with 1-butyne (C4H6): low-temperature kinetics and isomer-specific product detection. | 2010 Mar 11 |
|
| Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle. | 2010 May 21 |
|
| Aromatization of fulvene by complexation with lithium. | 2010 Nov 5 |
|
| Preparation of furan and thiophene-derived fulvene dialdehydes: synthesis and structural characterization of a 22-oxa-21-carbaporphyrin and a related palladium(II) organometallic complex. | 2010 Oct 1 |
|
| The importance of fuel dissociation and propargyl + allyl association for the formation of benzene in a fuel-rich 1-hexene flame. | 2010 Oct 14 |
|
| Electronic transitions of protonated benzene and fulvene, and of C6H7 isomers in neon matrices. | 2010 Oct 27 |
|
| Aromaticity of substituted fulvene derivatives: substituent-dependent ring currents. | 2010 Sep 28 |
Patents
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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497-20-1
Created by
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FULVENE
Created by
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19W699IKIE
Created by
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DTXSID30897602
Created by
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51999
Created by
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136323
Created by
admin on Sat Dec 16 18:34:05 GMT 2023 , Edited by admin on Sat Dec 16 18:34:05 GMT 2023
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SUBSTANCE RECORD
