200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 17676-32-3
17676-32-3 | 1,3,5,7-Cyclooctatetraene, (1Z,3Z,5Z,7Z)-
CAS No: 17676-32-3 Catalog No: AG0024WM MDL No:
Product Description
Catalog Number:
AG0024WM
Chemical Name:
1,3,5,7-Cyclooctatetraene, (1Z,3Z,5Z,7Z)-
CAS Number:
17676-32-3
Molecular Formula:
C8H8
Molecular Weight:
104.1491
IUPAC Name:
cyclooctatetraene
InChI:
InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H
InChI Key:
KDUIUFJBNGTBMD-UHFFFAOYSA-N
SMILES:
C1=CC=CC=CC=C1
Properties
Complexity:
86.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.152g/mol
Monoisotopic Mass:
104.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Binding of cerium monoxide to annulenes and buckybowls. | Physical chemistry chemical physics : PCCP 20121121 |
| A pass too far: dissociation of internal energy selected paracyclophane cations, theory and experiment. | Physical chemistry chemical physics : PCCP 20120914 |
| One-pot in situ fabrication of stable nanocaterpillars directly from polyacetylene diblock copolymers synthesized by mild ring-opening metathesis polymerization. | Journal of the American Chemical Society 20120905 |
| An experimental estimate of the relative aromaticity of the cyclooctatetraene dianion by fusion to dimethyldihydropyrene. | Chemical communications (Cambridge, England) 20120821 |
| Generation of molecular complexity from cyclooctatetraene using dienyliron and olefin metathesis methodology. | Organic & biomolecular chemistry 20120707 |
| 25,26-Bis(propan-2-yl-idene)hepta-cyclo[20.2.1.1(10,13).0(2,21).0(3,8).0(9,14).0(15,20)]hexa-cosa-2(21),3,5,7,9(14),11,15,17,19,23-deca-ene. | Acta crystallographica. Section E, Structure reports online 20120501 |
| Reversible and irreversible higher-order cycloaddition reactions of polyolefins with a multiple-bonded heavier group 13 alkene analogue: contrasting the behavior of systems with π-π, π-π*, and π-n+ frontier molecular orbital symmetry. | Journal of the American Chemical Society 20120425 |
| Series of lanthanide organometallic single-ion magnets. | Inorganic chemistry 20120305 |
| Ru cyclooctatetraene precursors for MOCVD. | Dalton transactions (Cambridge, England : 2003) 20120214 |
| Calculations of the effects of methyl groups on the energy differences between cyclooctatetraene and bicyclo[4.2.0]octa-2,4,7-triene and between their iron tricarbonyl complexes. | The Journal of organic chemistry 20120120 |
| Electronic states and metal-ligand bonding of gadolinium complexes of benzene and cyclooctatetraene. | The journal of physical chemistry. A 20120119 |
| TRASER--Total Reflection Amplification of Spontaneous Emission of Radiation. | PloS one 20120101 |
| Can an eight π-electron bare ring be planar? | Physical chemistry chemical physics : PCCP 20111214 |
| Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds. | Physical chemistry chemical physics : PCCP 20111214 |
| Visual indication of mechanical damage using core-shell microcapsules. | ACS applied materials & interfaces 20111201 |
| Dibenzo[a,e]penta-cyclo-[12.2.1.1.0.0]octa-deca-2(13),5(10)-diene. | Acta crystallographica. Section E, Structure reports online 20111201 |
| Effect on ring current of the Kekulé vibration in aromatic and antiaromatic rings. | The journal of physical chemistry. A 20111124 |
| Cyanine fluorophore derivatives with enhanced photostability. | Nature methods 20111113 |
| Thermal reaction of [3,4]-benzo-8-substituted-3Z,5Z,7E-octatetraenes and quantum-chemical study of the (8π,6π)-electrocyclisation. | Organic & biomolecular chemistry 20111007 |
| Transfer RNA-mediated regulation of ribosome dynamics during protein synthesis. | Nature structural & molecular biology 20110901 |
| Bonding nature and electron delocalization of An(COT)2, An = Th, Pa, U. | The journal of physical chemistry. A 20110818 |
| Control of postharvest Botrytis fruit rot of strawberry by volatile organic compounds of Candida intermedia. | Phytopathology 20110701 |
| Substrate-modulated gating dynamics in a Na+-coupled neurotransmitter transporter homologue. | Nature 20110602 |
| The lowest singlet states of octatetraene revisited. | The Journal of chemical physics 20110514 |
| Surface-initiated ring-opening metathesis polymerization in the vapor phase: an efficient method for grafting cyclic olefins with low strain energies. | Langmuir : the ACS journal of surfaces and colloids 20110503 |
| Selective dilithiation of [Ti(η(5)-C5H5)(η(8)-C8H8)] and subsequent conversion into neutral and cationic ansa-complexes. | Journal of the American Chemical Society 20110420 |
| Peculiarities of the complexation of copper and silver adducts of a 3,5-bis(trifluoromethyl)pyrazolate ligand with organoiron compounds. | Inorganic chemistry 20110418 |
| Synthesis of stable silicon heterocycles by reaction of organic substrates with a chlorosilylene [PhC(NtBu)2SiCl]. | Chemistry (Weinheim an der Bergstrasse, Germany) 20110404 |
| New procedure to evaluate aromaticity at the density functional theory, Hartree-Fock, and post-self-consistent field levels. | Journal of computational chemistry 20110130 |
| Unusual electrocyclic rearrangements with group 14 element compounds: reversible isomerization of a π-aromatic digermyl complex with carbon-carbon and germanium-germanium multiple bond cleavage. | Journal of the American Chemical Society 20110119 |
| Insights into the carbene-initiated aggregation of [Fe(cot)(2)]. | Angewandte Chemie (International ed. in English) 20110103 |
| [N,N'-Bis(2,6-diisopropyl-phen-yl)methanimidamidato][η-1,4-bis-(tri-methyl-sil-yl)cyclo-octa-tetra-enyl](tetra-hydro-furan)-samarium(III) toluene monosolvate. | Acta crystallographica. Section E, Structure reports online 20101201 |
| δ-Bonding in the [Pd4(μ4-C9H9)(μ4-C8H8)]+ sandwich complex. | Physical chemistry chemical physics : PCCP 20101014 |
| Studies on the reactivity of [Ge9]4- towards [Fe(cot)(CO)3]: synthesis and characterization of [Ge8Fe(CO)3]3- and of the anionic organometallic species [Fe(cot)(CO)3]-. | Chemistry (Weinheim an der Bergstrasse, Germany) 20100924 |
| Formation of uranium(IV) oxide clusters from uranocene [U(eta(8)-C8H8)2] and uranyl [UO2X2] compounds. | Inorganic chemistry 20100906 |
| Encapsulation of cyclooctatetraenyl dianion in an unusual organic/inorganic lanthanide triple-decker sandwich complex. | Dalton transactions (Cambridge, England : 2003) 20100807 |
| [4+2] cycloaddition reactions between 1,8-disubstituted cyclooctatetraenes and diazo dienophiles: stereoelectronic effects, anticancer properties and application to the synthesis of 7,8-substituted bicyclo[4.2.0]octa-2,4-dienes. | Chemistry (Weinheim an der Bergstrasse, Germany) 20100802 |
| Cleavage of the Sn-Sn multiple bond in a distannyne by cyclooctatetraene: formation of the pi-bound inverse sandwich complex [(Ar'Sn)2(mu2-eta2:eta3-cot)]. | Angewandte Chemie (International ed. in English) 20100628 |
| Spin-orbit effects on electronic delocalization. Aromaticity in a discrete square tetrapalladium sandwich complex. | The Journal of chemical physics 20100428 |
| Cyclic tetrathiophenes planarized by silicon and sulfur bridges bearing antiaromatic cyclooctatetraene core: syntheses, structures, and properties. | Journal of the American Chemical Society 20100127 |
| The Diels-Alder-reaction with inverse-electron-demand, a very efficient versatile click-reaction concept for proper ligation of variable molecular partners. | International journal of medical sciences 20100101 |
| Synthesis of a new class of aminocyclitol analogues with the conduramine D-2 configuration. | Beilstein journal of organic chemistry 20100101 |
| Gain of a 500-fold sensitivity on an intravital MR contrast agent based on an endohedral gadolinium-cluster-fullerene-conjugate: a new chance in cancer diagnostics. | International journal of medical sciences 20100101 |
| Extension of the PNA world by functionalized PNA monomers eligible candidates for inverse Diels Alder Click Chemistry. | International journal of medical sciences 20100101 |
| A cyclic-RGD-BioShuttle functionalized with TMZ by DARinv 'Click Chemistry' targeted to αvβ3 integrin for therapy. | International journal of medical sciences 20100101 |
| Synthesis of heteroleptic uranium (mu-eta(6):eta(6)-C6H6)2- sandwich complexes via facile displacement of (eta(5)-C5Me5)1- by ligands of lower hapticity and their conversion to heteroleptic bis(imido) compounds. | Journal of the American Chemical Society 20091202 |
| Cyclacenes: hoop-shaped systems composed of conjugated rings. | Accounts of chemical research 20090818 |
| Chiral crystallization: freezing a rapid Cope rearrangement in the solid state. | Organic letters 20090806 |
| 1(2,3),2(3,2),3(2,3),4(3,2)-Tetra-kis(1-benzothio-phena)cyclo-tetra-phane benzene sesquisolvate. | Acta crystallographica. Section E, Structure reports online 20090801 |
| Dynamic molecular tweezers composed of dibenzocyclooctatetraene units: synthesis, properties, and thermochromism in host-guest complexes. | Chemistry (Weinheim an der Bergstrasse, Germany) 20090713 |
| Triplet excitation scavenging in films of conjugated polymers. | Chemphyschem : a European journal of chemical physics and physical chemistry 20090511 |
| Effect of intramolecular Paternò-Büchi reaction on the thermodynamics and kinetics of nearly degenerate [3,3]-sigmatropic shift in fluxional polycycles. | The Journal of organic chemistry 20090501 |
| Mitigating unwanted photophysical processes for improved single-molecule fluorescence imaging. | Biophysical journal 20090318 |
| Investigating metal size effects in the Ln2(mu-eta2:eta2-N2) reduction system: reductive reactivity with complexes of the largest and smallest trivalent lanthanide ions, La3+ and Lu3+. | Inorganic chemistry 20090302 |
| Computational investigation of hydrogen adsorption by alkali-metal-doped organic molecules: role of aromaticity. | Chemphyschem : a European journal of chemical physics and physical chemistry 20090202 |
| Synthesis, properties and formation of (RCp)Co- and (RCp)Rh-stabilized[4.8]3cyclacene derivatives. | Chemistry (Weinheim an der Bergstrasse, Germany) 20090101 |
| The synthesis of highly substituted cyclooctatetraene scaffolds by metal-catalyzed [2+2+2+2] cycloadditions: studies on regioselectivity, dynamic properties, and metal chelation. | Angewandte Chemie (International ed. in English) 20090101 |
| Aromaticity and antiaromaticity in 4-, 6-, 8-, and 10-membered conjugated hydrocarbon rings. | The journal of physical chemistry. A 20081218 |
| Stacked-ring aromaticity: an orbital model. | Organic letters 20081218 |
| Aromaticity and antiaromaticity in the low-lying electronic states of cyclooctatetraene. | The journal of physical chemistry. A 20081211 |
| High-pressure studies of 1,3,5,7-cyclooctatetraene: experiment and theory. | The journal of physical chemistry. A 20081113 |
| Photoelectron spectroscopic study of the anionic transition metalorganic complexes [Fe(1,2)(COT)](-) and [Co(COT)](-). | The Journal of chemical physics 20080928 |
| Accurate determination of the structure of cyclooctatetraene by femtosecond rotational coherence spectroscopy and ab initio calculations. | The journal of physical chemistry. A 20080925 |
| Ab initio structures for 90 degrees -twisted s-trans-1,3-butadiene and cyclooctatetraene: the naked sp2-sp2 bond. | The journal of physical chemistry. A 20080320 |
| A second polymorph of [1,2-bis-(di-tert-butyl-phosphino)ethane]dichlorido-platinum(II). | Acta crystallographica. Section E, Structure reports online 20080301 |
| Triplet-state aromaticity of 4npi-electron monocycles: analysis of bifurcation in the pi contribution to the electron localization function. | Chemphyschem : a European journal of chemical physics and physical chemistry 20080201 |
| Antiaromaticity and reactivity of a planar cyclooctatetraene fully annelated with bicyclo[2.1.1]hexane units. | Chemistry (Weinheim an der Bergstrasse, Germany) 20080101 |
| Metal mediated synthesis of substituted cyclooctatetraenes. | Chemical communications (Cambridge, England) 20071228 |
| Syntheses and structures of mononuclear lutetium imido complexes with very short Lu-N bonds. | Chemical communications (Cambridge, England) 20071221 |
| Experimental and theoretical investigations into the paratropic ring current of a porphyrin sheet. | Chemistry, an Asian journal 20070702 |
| Experimental/computational study of the electrochemical oxidation of cyclooctatetraene in protic media. Solvent effects. | Organic letters 20070426 |
| The role of the intersection space in the photochemistry of tricyclo[3.3.0.0(2,6)]octa-3,7-diene. | The journal of physical chemistry. A 20070419 |
| Strategies to improve photostabilities in ultrasensitive fluorescence spectroscopy. | The journal of physical chemistry. A 20070125 |
| A computational study of sulfur bridged cyclooctatetraenophanes. | Journal of molecular graphics & modelling 20061201 |
| Full spectral decomposition of ring currents. | The journal of physical chemistry. A 20061130 |
| Trivalent [(C5Me5)2(THF)Ln]2(mu-eta2:eta2-N2) complexes as reducing agents including the reductive homologation of CO to a ketene carboxylate, (mu-eta4-O2C-C=C=O)2-. | Journal of the American Chemical Society 20061101 |
| Synthesis and biradicaloid character of doubly linked corrole dimers. | Journal of the American Chemical Society 20060927 |
| Cobalt(I)-catalyzed [6+2] cycloadditions of cyclooctatetra(tri)ene with alkynes. | The Journal of organic chemistry 20060331 |
| Persistence of paratropic ring currents in nonplanar, tub-shaped geometries of 1,3,5,7-cyclooctatetraene. | Organic letters 20060330 |
| A directly fused tetrameric porphyrin sheet and its anomalous electronic properties that arise from the planar cyclooctatetraene core. | Journal of the American Chemical Society 20060329 |
| Yttrium and lanthanide complexes having a chiral phosphanylamide in the coordination sphere. | Inorganic chemistry 20060123 |
| Calcium, strontium, barium, and ytterbium complexes with cyclooctatetraenyl or cyclononatetraenyl ligands. | Journal of the American Chemical Society 20051214 |
| Stereospecific synthesis of a new class of compounds: bis-homoconduritol-A, -D, and -F. | Carbohydrate research 20050905 |
| CH stretching vibrational overtone spectra of 1,3,5,7-cyclooctatetraene and 1,1,1-trichloroethane. | The journal of physical chemistry. A 20050818 |
| Synthesis, structure, and ligand-based reduction reactivity of trivalent organosamarium benzene chalcogenolate complexes (C(5)Me(5))(2)Sm(EPh)(THF) and [(C(5)Me(5))(2)Sm(mu-EPh)](2). | Inorganic chemistry 20050613 |
| Acetylene coupling on Cu(111): formation of butadiene, benzene, and cyclooctatetraene. | The journal of physical chemistry. B 20050602 |
| Ab initio study of the cyclooctatetraenyl radical. | The journal of physical chemistry. A 20050421 |
| Geometric and electronic structures of multiple-decker one-end open sandwich clusters: Eu(n)(C8H8)n- (n = 1-4). | The journal of physical chemistry. A 20050324 |
| Titanium imido complexes of cyclooctatetraenyl ligands. | Chemistry (Weinheim an der Bergstrasse, Germany) 20050318 |
| Single-molecule nanosized polycyclic aromatics with alternant five- and six-membered rings: synthesis and optical properties. | Organic letters 20050317 |
| Probing the transition state with negative ion photodetachment: experiment and theory. | Physical chemistry chemical physics : PCCP 20050207 |
| The second cyclopropannulene: cycloprop-[8]annulene. | Journal of the American Chemical Society 20050202 |
| No-D NMR study of the pathway for n-BuLi 'oxidation' of 1,5-cyclooctadiene to dilithium cyclooctatetraene dianion [Li2COT2-]. | Organic letters 20050120 |
| Lanthanide organometallic sandwich nanowires: formation mechanism. | The journal of physical chemistry. A 20050113 |
| Polycyclooctatetraeneoxy alkane polyanionic polyradicals. | Journal of the American Chemical Society 20050112 |
| Novel cyclooctatetraene radical cation planarized by full annelation with bicyclo[2.1.1]hexene units. | Organic letters 20041125 |
| A samarium cyclooctatetraene complex as catalyst for hydroamination/cyclisation catalysis. | Chemical communications (Cambridge, England) 20041121 |
| Structure, reactivity, and density functional theory analysis of the six-electron reductant, [(C5Me5)2U]2(mu-eta6:eta6-C6H6), synthesized via a new mode of (C5Me5)3M reactivity. | Journal of the American Chemical Society 20041110 |
| Synthesis of 1,4-annulated cyclooctatetraenophanes based on a novel cubane building block approach. | The Journal of organic chemistry 20040806 |
| Yttrium and lanthanide diphosphanylamides: syntheses and structures of complexes with one [(Ph2P)2N]- ligand in the coordination sphere. | Chemistry (Weinheim an der Bergstrasse, Germany) 20040719 |
| Mechanism of Reppe's nickel-catalyzed ethyne tetramerization to cyclooctatetraene: a DFT study. | Chemistry (Weinheim an der Bergstrasse, Germany) 20040621 |
| Synthesis, structure, and dynamics of nickelacarboranes incorporating the [nido-7,9-C(2)B(9)H(11)](2)(-) ligand. | Inorganic chemistry 20040517 |
| Reactions of sterically congested 1,5-hexadienes: Ab initio and DFT calculations on the competition between cope rearrangements and disrotatory cyclobutene ring-opening reactions of bridged syn-tricyclo[4.2.0.0(2,5)]octa-3,7-dienes. | The Journal of organic chemistry 20040514 |
| A theory of nonvertical triplet energy transfer in terms of accurate potential energy surfaces: the transfer reaction from pi,pi* triplet donors to 1,3,5,7-cyclooctatetraene. | The Journal of chemical physics 20040115 |
| 6a,6b,12a,12b-Tetrahydrocycloocta[3,4]cyclobuta[1,2][8]annulene. | Acta crystallographica. Section C, Crystal structure communications 20040101 |
| Terphenyl cyclooctatetraenyl compounds of samarium. | Inorganic chemistry 20031117 |
| Remarkable reactions of cyclooctatetraene diiron-bridging carbyne complexes with amino and amido compounds: nucleophilic addition to and breaking of the cyclooctatetraene ring. | Chemistry (Weinheim an der Bergstrasse, Germany) 20031017 |
| The boratacyclooctatetraene ligand: an isoelectronic trianionic analogue of the cyclooctatetraene dianion. | Angewandte Chemie (International ed. in English) 20030929 |
| On the stability of large [4n]annulenes. | Organic letters 20030821 |
| Direct synthesis of soluble, end-functionalized polyenes and polyacetylene block copolymers. | Journal of the American Chemical Society 20030716 |
| From hydrocarbons to polyols. Cyclooctatetraene to novel cyclooctitols. | Chemical communications (Cambridge, England) 20021207 |
| Mass spectral evidence of alkali metal insertion into C60-cyclooctatetraene complexes: M+@C60-C8H 8 *3-. | The Journal of organic chemistry 20021129 |
| Cyclooctatetraene computational photo- and thermal chemistry: a reactivity model for conjugated hydrocarbons. | Journal of the American Chemical Society 20021120 |
| Density functional theory study of redox pairs: 2. Influence of solvation and ion-pair formation on the redox behavior of cyclooctatetraene and nitrobenzene. | Journal of the American Chemical Society 20020918 |
| Tris(eta4-naphthalene)- and tris(1-4-eta4-anthracene)tantalate(1-): first homoleptic arene complexes of anionic tantalum. | Journal of the American Chemical Society 20020904 |
| Diuranium inverted sandwiches involving naphthalene and cyclooctatetraene. | Journal of the American Chemical Society 20020703 |
| Paratropic delocalized ring currents in flattened cyclooctatetraene systems with bond alternation. | Angewandte Chemie (International ed. in English) 20020503 |
| Role of bifurcation in the bond shifting of cyclooctatetraene. | Journal of computational chemistry 20020501 |
| Tunneling and sterically induced ring puckering in a substituted [8]annulene anion radical. | Journal of the American Chemical Society 20020320 |
| A fresh look at aromatic dianions. | Journal of the American Chemical Society 20020213 |
| Oxa bowls: studies toward hexaoxa-[6]-peristylane. Synthesis of a seco-derivative of hexaoxa-[6]-peristylane. | The Journal of organic chemistry 20011019 |
| Quantum mechanical investigation of the inner-sphere reorganization energy of cyclooctatetraene/cyclooctatetraene radical anion. Part I. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20010901 |
| A chemical definition of the effective reducing power of thulium(II) diiodide by its reactions with cyclic unsaturated hydrocarbons. | Chemistry (Weinheim an der Bergstrasse, Germany) 20010817 |
| Effect of para substituents on the rate of bond shift in arylcyclooctatetraenes. | The Journal of organic chemistry 20010810 |
| The rearrangement of the cubane radical cation in solution. | Chemistry (Weinheim an der Bergstrasse, Germany) 20010702 |
| Quantum mechanical designs toward planar delocalized cyclooctatetraene: a new target for synthesis. | Journal of the American Chemical Society 20010227 |
| Efficient synthesis of benzene and planar cyclooctatetraene fully annelated with bicyclo[2.1.1]hex-2-ene. | Journal of the American Chemical Society 20010227 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.