190127-52-7

Upstream product

• 109-99-9 tetrahydrofuran 
• 249617-37-6 (η(5)-cyclopentadienyl)((cyclopentadienyl)tris(pentafluorophenyl)borato-κ(5)-C)trihydridotungsten 
• 1109-15-5 tris(pentafluorophenyl)borate 
• 1190751-28-0 titanium(IV)[1,2-C₆H₄(NCH₂tBu)2]Cl₂(THF) 
• 1190751-29-1 [zirconium(IV)[1,2-C6H4(NCH2tBu)2]Cl(THF)(μ-Cl)]2 
• 1245460-63-2 [WMe₂(N(C₆H₃(CH(CH₃)2)2)2(THF)] 
• 1207505-29-0 [(Ti(η5-cyclopentadienyl))2(μ-Cl)(μ-((η5-C5Me4SiMeO)2(μ-O)))]ClB(C6F5)3 

Downstream Products

• 876185-43-2 [(C₆H₂Me₃-2,4,6)2PC₄H₈OB(C₆F₅)3Li(THF)2] 
• 1008162-00-2 (C₅H₄C(C₆H₅)2C₁₃H₈)Zr(OC₄H₈)(OC(OCH(CH₃)2)C(CH₃)2)⁽¹⁺⁾*CH₃B(C₆F₅)3^(1-)=(C₃₁H₂₂)Zr(OC₄H₈)(OC(OC₃H₇)C(CH₃)2)(CH₃B(C₆F₅)3) 
• 1338811-88-3 [Ta(η5-C5H4CMe2(C2B10H10)-κ1C)Me2(THF)][B(C6F5)3Me] 
• 914913-05-6 [(2-(N-(2,6-diisopropylphenyl)iminomethyl)pyrrolyl)Zr(CH₂Ph)2(THF)][PhCH₂B(C₆F₅)3] 

Relevant academic research and scientific papers

Exploring the effects of reduction or lewis acid coordination on the U=O bond of the uranyl moiety

Reaction of Li(ArNC(Ph)CHC(Ph)O) (Aracnac; Ar ) 2,4,6-Me 3C6H2) or Na(ArNC(Ph)CHC(Ph)O) (Ar ) 3,5- tBu2C6H3) with 0.5 equiv of UO 2Cl2(THF)3

Reduction of Dioxygen by Radical/B(p-C6F4X)3 Pairs to Give Isolable Bis(borane)superoxide Compounds

Triplet dioxygen was reduced by TEMPO or trityl radicals in the presence of two molar equivalents of the strong B(p-C6F4X)3 (X: F or H) boron Lewis acids under mild conditions to give the bis(borane)superoxide systems 2. T

Hydrosilane-B(C6F5)3 adducts as activators in zirconocene catalyzed ethylene polymerization

Hydrosilane-B(C6F5)3 adducts were found to activate zirconocene dihalides and generate ternary catalytic systems possessing moderate to high activity in ethylene polymerization to high density polyethylene (HDPE). The activation efficacy of the adducts increased with increasing hydride donor ability and decreased with steric crowding of the particular hydrosilane used. NMR investigation of the HSiEt3/B(C6F5)3/Cp?2ZrF2 system (Cp? = η5-C5Me5) revealed the formation of a stable intermediate [Cp?2ZrF(FSiEt3-κF)]+[HB(C6F5)3]-, whereas a crucial role of the [HB(C6F5)3]- anion as a hydride donor for generation of an active cationic zirconium hydride center was elucidated.

Frustrated Lewis pairs: A real alternative to deuteride/tritide reductions

Deuterium- and tritium-labeled compounds play a principal role in tracing of biologically active molecules in complicated biochemical systems. The state-of-the-art techniques using noble metal catalysts or strong reducing agents often suffers from low fun

The special role of B(C6F5)3 in the single electron reduction of quinones by radicals

In the presence of two molar equiv. of B(C6F5)3p-benzoquinone reacts with persistent radicals TEMPO, trityl or decamethylferrocene by single electron transfer to give doubly O-borylated benzosemiquinone radical anions with

Dinuclear dicyclopentadienyl titanium complexes with bridging cyclopentadienylsiloxo ligands

Addition of 1 equiv of T1Cp to compound [(TiCl2) 2(μ-{(η5-C5Me4SiMeO) 2(μ-O)})] (A) at 80°C gave a mixture with different molar ratios of the two possible isomers of [(TiClCp)(TiCl 2)(μ-{(η5C5Me4SiMeO) 2(μ-O)})] (1). Reaction of compound A with 2 equiv of TlC p at 80°C afforded [(TiClCp)2(μ- {(η5-C5Me4SiMeO)2(μ-O)})] (2as) as the unique reaction product. Each Cp ligand of 2as is located in different positions anti and syn with respect to the Si-O-Si bridge. However, a mixture of two isomers of [(TiClCp)2(μ-{(η5-C 5Me4SiMeO)2(μ-O)})], 2as ( > 95% by NMR) and 2aa ( a mixture of the three possible isomers [(TiMeCp) 2(μ-{(η5-C5Me4SiMeO) 2(μ-O)})] (3as, 3aa, 3ss). The proportion of each was dependent on the reaction temperature. Isomer 2as reacted with Lewis acids E(C 6Fs)3 (E = B, Al) and with Li[B(C6F 5)4] to give the chloro-bridged dititanium compounds [(TiCp)2(μ-{(η5-C5Me4SiMeO) 2(μ-O)})μ-Cl)][Q] (Q = ClB(C6F5) 3, 4B; C1A1(C6F5)3, 4Al; Q = B(C6F5)4, 4C) as the unique reaction products. Addition of [Ph3C][B(CgF5)4] to the mixture of isomers in 3 gave a mixture of complexes [(TiCpMe)(TiCp)(μ- {(η5-C5Me4SiMeO)2(μ-O)})][Q] (5aC and 5sC; Q = B(C6F5)4), with the remaining methyl ligand located at anti or syn positions depending on the methyl group being abstracted. DFT studies were carried out to determine the stability of the isomers of 2 and 3, to determine which chlorine atom in compound 2as was more easily eliminated, and also to clarify the transformation of isomer 2as into the mixture of isomers 3as, 3aa, and 3ss during the alkylation reaction.

Exploring the reactivity of tungsten bis(imido) dimethyl complexes with methyl aluminium reagents: Implications for ethylene dimerization

The reaction of [WCl2(NAr)2(DME)] (1) with excess Me3Al affords the dimethyl complex [WMe2(N{Ar}AlMe 2{μ-Cl})(NAr)] (2), which on treatment with THF or MeAlCl 2 yields [WMe2(NAr)2(THF)] (3) and [WMe 2(N{Ar}AlMe(Cl){μ-Cl})(NAr)] (5), respectively. Complex 3 is unstable in solution dissociating to form [WMe2(NAr)2] (4) that may be isolated as an adduct with PMe3, [WMe 2(NAr)2(PMe3)] (6). While complex 2 is inert towards ethylene, complex 3 reacts rapidly to afford a mixture of methane and but-1-ene (1:4). Neither complex 2 nor 3 react with propylene. Reaction of 3 with a C2H4/C2D4 (1:1) affords a mixture of isotopomers that is consistent with complete isotopic scrambling. The structures of complexes 1, 2, and 3 have been determined by X-ray diffraction. The Royal Society of Chemistry 2010.

Frustrated lewis pairs and ring-opening of THF, dioxane, and thioxane

The reaction of tBu2PH and B(p-C6F4H) 3 in THF afforded tBu2(H)P(CH2) 4OB(p-C6F4H)3 (1). Similarly, reactions of N-bases with a THF solution of B(C6F5) 3 led to the formation of the THF-ring-opening products C 5H3Me2N(CH2)4OB(C 6F5)3 (2), C6H5CH 2NMe2(CH2)4OB(C6F 5)3 (3), and Me2NC6H 4NMe2(CH2)4OB(C6F 5)3 (4). THF-ring-opening also occurs with aliphatic amines to form the compounds Me3N(CH2) 4OB(C6F5)3 (5), Et 3N(CH2)4OB(C6F5) 3 (6), Me2N(CH2)2NMe 2(CH2)4OB(C6F5) 3 (7), and tBuHN(CH2)2NHtBu(CH 2)4OB(C6F5)3 (8). In related chemistry, reactions of B(C6F5)3, 1,4-dioxane, and the appropriate base yielded tBu3P(CH 2)2O(CH2)2OB(C6F 5)3 (10), C6H5CH2NMe 2(CH2)2O(CH2)2OB(C 6F5)3 (11), ((tBuN)2C 3H2)(CH2)2O(CH2) 2OB(C6F5)3 (12), Me 2NC6H4NMe2(CH2) 2O(CH2)2OB(C6F5) 3 (13), and C5H3Me2N(CH 2)2O(CH2)2OB(C6F 5)3 (14). In a related fashion, the thioxane adduct (C6F5)3B(SC4H8O) (15) reacted with N,N-dimethylbenzylamine, N,N,N′,N′-tetramethyl-p- phenylenediamine, 2,6-lutidine, or tBu3P to give the corresponding ring-opened products L(CH2)2S(CH2) 2OB(C6F5)3 (L = tBu3P (16), C6H5CH2NMe2 (17), Me 2NC6H4NMe2 (18), and C 5H3Me2N (19)). The crystal structures of 1-7, 10-12, 14, 18, and 19 are reported.

Early transition metal derivatives stabilised by the phenylenediamido 1,2-C6H4(NCH2tBu)2 ligand: Synthesis, characterisation and reactivity studies: Crystal structures of [Ta{1,2-C6H4(NCH2tBu)2} 2Cl] and [Zr{(1,2-C6H4(NCH2tBu)

Li2[1,2-C6H4(NCH2tBu) 2] reacts with one equiv of [TiCl4(THF)2] in refluxing toluene to give the chelate compound [Ti{1,2-C6H4(NCH2tBu)2} Cl2(THF)] (1), isolated as a black product, while the reaction of the dilithio diamido salt with one equiv of [ZrCl4(THF)2] in refluxing toluene affords the dinuclear zirconium derivative [Zr{1,2-C6H4(NCH2tBu)2}Cl(TH F)(μ-Cl)]2 (2), obtained as an orange solid. Treatment of the dilithio diamido salt with TaCl5 in a 2:1 molar ratio in toluene yields [Ta{1,2-C6H4(NCH2tBu)2} 2Cl] (3) as a red product. The reaction of 1,2-C6H4(NHCH2tBu)2 with [Zr(NMe2)4] in toluene at room temperature affords the dinuclear zirconium complex [Zr{1,2-C6H4(NCH2tBu)2}( NMe2)(μ-NMe2)]2 (4). The dibenzyl derivative [Ti{1,2-C6H4(NCH2tBu)2}( CH2Ph)2] (5) is obtained by the reaction of 1 with 2 equiv of Mg(CH2Ph)Cl at -78 °C. Compound 1 reacts with the lithium amide reagent LiN(SiMe3)2 to afford [Ti{1,2-C6H4(NCH2tBu)2}Cl{N( SiMe3)}] (6). The μ-oxo titanium derivative [(Ti{1,2-C6H4(NCH2tBu)2}{ CH2Ph})2(μ-O)] 7 is precipitated when compound 5 is maintained in solution. The tendency of these compounds to coordinate donor ligands and their reactivity with Lewis acid reagents are described. All compounds were analytically and spectroscopically characterised and the molecular structures of the diamine 1,2-C6H4(NHCH2tBu)2 and the complexes 3 and 4 were established by single-crystal X-ray diffraction studies. The lack of correlation between the degree of metallacycle folding and phenylene ring distortion is observed in the solid state structures. The performance of precursors 1, 3 and 5 were evaluated in ethylene polymerisation upon activation with B(C6F5)3, methylaluminoxane (MAO) and sMAO as cocatalysts, with very modest activities.

Reactivity of B(C6F5)3 with simple early transition metal alkoxides: Alkoxide-aryl exchange, THF ring-opening, or acetonitrile CC coupling

Treatment of the titanium(IV) and vanadium(IV) alkoxide complexes M(OPri)4 [M = Ti, V] with B(C6F5)3 results in alkoxide-aryl exchange and formation of the organometallic dimer complexes [M(OPri)2(μ-OPri)(C6F 5)]2 (M = Ti (1), V (2)). In comparison, the reaction between B(C6F5)3 and Zr(OBut) 4 in pentane, followed by recrystallization in acetonitrile-THF solutions, affords the unexpected trimeric zirconium salt [Zr 3(OBut)6(μ2-OBut) 3(μ3-OBut)(μ3-OCH 2CH2CH2CH3)][B(C6F 5)4] (3), which proceeds through a redox reaction involving the borane and the THF solvent. In the presence of CH3CN, a tetranuclear complex formulated as [Zr2(OBut) 5(μ-OBut)2(μ-N,N′-N(H)C(CH 3)=C(H)C≡N)]2 (5) is obtained, which results from a C,C coupling reaction between two acetonitrile molecules. When Zr(OBu t)4 is treated with (HO)B(C6F5) 2, a dimer complex formulated as [Zr(OBut) 2{μ-O-OB(OBut)(C6F5) 2-κ2-O,O}]2 (7) is formed that contains an unusual ligand bonding mode. The molecular structures of 1, 2, 3, 5, and 7 as well as the adduct B(C6F5)3 THF (4) and [Zr(OBut)3(μ-OBut)]2(μ- N≡CCH3) (6) have been determined by X-ray diffraction.