2175-90-8

Usage

Physical form

Solid

Uses

6,6-Diphenylfulvene is a useful research chemical.

Upstream product

• 119-61-9 benzophenone 
• 542-92-7 cyclopenta-1,3-diene 
• 22462-72-2 cyclopentadienyl diphenyl carbinol 
• 133528-13-9 (3aR,6aS)-3,3-Diphenyl-3,3a,4,6a-tetrahydro-cyclopenta[1,2]diselenole 
• 4214-38-4 (diphenylmethylene)triphenylphosphorane 
• 1696-17-9 N,N-diethylbenzamide 
• 591-51-5 phenyllithium 
• 611-74-5 N,N-dimethylbenzamide 
• 79-44-7 N,N-Dimethylcarbamoyl chloride 
• 2051-90-3 Dichlorodiphenylmethane 
• 814-49-3 diethyl chlorophosphate 
• 84332-78-5 [V(bis(η-5-cyclopentadienyl))(η-2-C,S-thiobenzophenone)] 
• 119579-98-5 selenobenzophenone 
• 132678-75-2 3-Benzhydrylidenetetracyclo-<3.2.0.0^2,7.0^4,6>heptane 

Downstream Products

• 50585-09-6 (diphenylmethyl)cyclopentane 
• 124142-49-0 3,3'-dibenzhydrylidene-5,5'-bis-(1-cyano-1-methyl-ethyl)-[4,4']bicyclopent-1-enyl 
• 124142-50-3 5,5'-dibenzhydrylidene-4,4'-bis-(1-cyano-1-methyl-ethyl)-[3,3']bicyclopent-1-enyl 
• 128671-88-5 7-benzhydrylidene-norborn-5-ene-2endo,3endo-dicarboxylic acid dimethyl ester 
• 102626-19-7 (+/-)-1-(7-benzhydrylidene-norborn-5-ene-2endo-yl)-ethanone 
• 19019-87-5 7-benzhydrylidene-norborna-2,5-diene-2,3-dicarboxylic acid dimethyl ester 
• 100783-25-3 (+/-)-7-benzhydrylidene-norborn-5-ene-2endo-carboxylic acid 
• 30504-11-1 8-Benzhydrylidene-tricyclo[3.2.1.0^2,4]oct-6-ene 
• 69971-33-1 1-benzhydrylcyclopent-1-ene 

Relevant academic research and scientific papers

6,6-Diphenylfulvene at 140 K

The title compound, C18H14, crystallizes with two molecules in the asymmetric unit, which differ only in the angle between the phenyl rings and the fulvene moiety. The two double bonds of the cyclopentadiene moiety are shortened [1.352 (2) and 1.353 (2) A] in the title compound compared with the range found in its metal complexes (1.381-1.520 A). The bond joining these two double bonds is generally shorter in the metal complexes than in the title compound [1.467 (2) and 1.468 (2) A], but there are exceptions. A conformational analysis of the title compound with the molecular modelling program MOMO [Bolte, Beck & Egert (1991). Molecular Modelling Program MOMO. University of Frankfurt, Germany] shows only one minimum on the energy hypersurface, where both phenyl rings form an angle of 56.6° with the fulvene moiety.

In Situ Activation: Chances and Limitations to Form Ultrahigh Molecular Weight Syndiotactic Polypropylene with Metallocene Dichlorides

Fluorenyl cyclopentadienyl Cs-symmetric ansa-metallocene (M = Zr, Hf) complexes I-IV featuring different bridging motifs (C and Si) were synthesized and subsequently examined in the syndiospecific coordinative polymerization of propylene. All complexes were activated in situ with triisobutylaluminum (TIBA) and [Ph3C][B(C6F5)4] (TrBCF) in order to highlight the benefits of this in situ activation, resulting in a significantly higher molecular weight and a significantly increased productivity in comparison to methylaluminoxane (MAO). The isopropylidene-bridged zirconocene Ia (ZrCl2[Me2C(η5-Flu)( η5-Cp)]) exhibited a high productivity (80000 kgPP (molcat h)-1) and stereoregularity ([rrrr] up to 93%) with a moderate molecular weight of polypropylene (PP), whereas the polymerization with the corresponding hafnocene Ib (HfCl2[Me2C(η5-Flu)( η5-Cp)]) resulted in a lower productivity and stereoregularity but yielded ultrahigh molecular weight polypropylene (Mw = 1100 kg mol-1). The backbone in II (HfCl2[Ph2C(η5-Flu)( η5-Cp)]) was associated with a higher productivity and molecular weight, while the syndiotacticity was not affected. In contrast, SC-XRD revealed a reduced dihedral angle and D value for Si-bridged hafnocenes III (HfCl2[Me2Si(η5-Flu)( η5-Cp)]) and IV (HfCl2[Ph2Si(η5-Flu)( η5-Cp)]), resulting in a more constrained geometry of the catalyst. This led to an increased molecular weight, while the productivity as well as the syndiotacticity decreased due to these structural parameters. Activation of Ib and II-IV with n-octyl-modified methylaluminoxane (MMAO) resulted in a lower molecular weight of the polymer, because the transfer of the growing polymer chain onto the Al center was enhanced. Nevertheless, the stereoregularity of MMAO-activated catalysts was slightly increased, probably due to a coordination of the ill-defined MMAO anion during the polymerization. DSC analysis exposed for syndiotactic polypropylene (sPP) produced by the highly active zirconocene Ia a defined melting transition (Tm up to 145.2 °C), whereas TIBA/TrBCF-activated hafnocenes Ib and II-IV gave polymers with no observable Tm value.

Visible-light-induced [4 + 2] cycloaddition of pentafulvenes by organic photoredox catalysis

We have developed thioxanthylium photoredox catalyzed [4 + 2] cycloaddition of pentafulvenes at room temperature under green light irradiation, which affords tetrahydrocyclopenta[b]chromenes with high regioselectivities. The present reaction provides a sustainable approach to carry out the cycloaddition of pentafulvenes without the use of transition metal catalysts or high-temperature conditions. This procedure enables a mild and straightforward access to 1,3a,9,9a-tetrahydrocyclopenta[b]chromenes. The quantum yield of the reaction (Φ = 0.15) indicates that the reaction would mainly proceed via photocatalytic pathways.

Preparation method of substituted cyclopentadienyl metallocene compound

The invention relates to a preparation method of a substituted cyclopentadienyl metallocene compound. The preparation method comprises the following steps that a cyclopentadienyl compound and an aldehyde-ketone compound are adopted to carry out reaction to produce a fulvene compound, then the fulvene compound is acted with metal hydride to produce substituted cyclopentadienyl salt, and the substituted cyclopentadienyl salt is further reacted with group IV metal halide to produce the metallocene compound. Compared with the prior art, the preparation method has the advantages of high product yield, convenience in operation, good economy and the like and is suitable for industrial production.

(Planar-Chiral) Ferrocenylmethanols: From Anionic Homo Phospho-Fries Rearrangements to α-Ferrocenyl Carbenium Ions

The reaction of FcCH2OH with chlorophosphates gave ferrocenyl phosphates FcCH2OP(O)(OR)2 [Fc = Fe(η5-C5H5)(η4-C5H4)], which readily separate into phosphate anions and ferrocenyl carbo-cations. The latter species undergoes consecutive reactions, for example, electrophilic aromatic substitutions. When nitriles, instead of alcohols, are treated with FcLi or tBuLi and chlorophosphates, chiral-pool based ferrocenylimino phosphoramidates Fc-CR=N-P(O)(OR*)2 are formed, which are promising candidates for anionic homo phospho-Fries rearrangements. Moreover, the sterically demanding chiral chlorophosphate with R* enabled oxidative couplings of the imines to form a diferrocenylazine. Similarly, the reaction of Fc–Li with 9-anthrylnitrile produced a 10-ferrocenyl-substituted product, contrary to a reaction at the C≡N functionality. A planar-chiral ortho-P(S)Ph2-functionalized ferrocenylmethanol also gave carbo-cations under acidic conditions. These species can be sulfurized in a unique way giving thio ethers, whereby the in situ formed 1,2-P(S)Ph2,CH2+ ferrocene cation acts as the sulfur and electron source. However, lowering the substrate concentration prevents sulfur migration, resulting in electrophilic substitution reactions with aromatic solvents. Planar-chiral ferrocenylmethyl thio or anisyl derivatives were applied as ligands in Pd-catalyzed Suzuki–Miyaura C,C cross-couplings for the atroposelective synthesis of hindered biaryls with up to 26 % ee at low catalyst loadings (1 mol-% Pd).

Method for producing fulvene

PROBLEM TO BE SOLVED: To provide a method for producing a fulvene in which the reaction efficiently proceeds regardless of the nature of the substituent group which a raw-material ketone, especially a ketone not having an α-proton, possesses. SOLUTION: Provided is a method for producing a fulvene including a step to condense a ketone not possessing an α-proton, and an alkali metal salt of cyclopentadiene in the presence of a Lewis acid. SELECTED DRAWING: None COPYRIGHT: (C)2016,JPOandINPIT

METALLOCENE COMPOUNDS, CATALYST COMPOSITIONS COMPRISING THE SAME, AND METHOD FOR PREPARING OLEFIN POLYMERS USING THE SAME

The present invention relates to a transition metal compound which can usefully adjust characteristics of synthesized olefin polymers such as chemical structures, molecular weight distribution, mechanical properties, etc. while exhibiting high activity during olefin polymerization reaction; to a catalyst composition comprising the same; and a preparation method of olefin polymer using the catalyst composition. The novel transition metal compound of the present invention can provide polyolefin with medium-low molecular weight for improving processability and is represented by chemical formula 1.COPYRIGHT KIPO 2016

METALLOCENE COMPOUNDS, CATALYST COMPOSITIONS COMPRISING THE SAME, AND METHOD FOR PREPARING OLEFIN POLYMERS USING THE SAME (AS AMENDED)

The present invention relates to a transition metal compound that may exhibit high activity in olefin polymerization, and easily control the properties of synthesized olefin polymer such as a chemical structure, molecular weight distribution, a mechanical property, and the like, a catalyst composition comprising the same, and a method for olefin polymerization using the catalyst composition.

POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW MELT ELASTICITY

The present techniques relate to catalyst compositions, methods, and polymers encompassing a Group 4 metallocene compound comprising bridging η5-cyclopentadienyl-type ligands, typically in combination with a cocatalyst, and a activator. The compositions and methods presented herein include ethylene polymers with low melt elasticity.

An improved pathway to 6,6-disubstituted fulvenes

Pentafulvenes with alkyl and/or aryl substituents at the exocyclic position are formed rapidly in high yields through reaction of crystalline sodium cyclopentadienide directly with the appropriate ketones.