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Usage

Uses

Used in Pharmaceutical Industry:
Bis(cyclopentadienyl)zirconium dihydride is used as a pharmaceutical intermediate for the synthesis of various drugs and medicinal compounds. Its unique chemical properties allow for the creation of complex molecular structures that can be tailored for specific therapeutic applications.
Used in Chemical Industry:
In the chemical industry, bis(cyclopentadienyl)zirconium dihydride serves as a crucial catalyst or catalyst precursor in various chemical reactions. Its ability to facilitate specific transformations makes it a valuable component in the production of a wide range of chemicals and materials.
By organizing the information provided, we can see that bis(cyclopentadienyl)zirconium dihydride is a versatile compound with applications in both the pharmaceutical and chemical industries. Its unique properties make it an essential component in the development and production of various drugs, as well as a valuable catalyst in chemical reactions.

InChI:InChI=1/2C5H5.Zr.2H/c2*1-2-4-5-3-1;;;/h2*1-5H;;;/r2C5H5.H2Zr/c2*1-2-4-5-3-1;/h2*1-5H;1H2

Upstream product

• 75-50-3 trimethylamine 
• 16853-85-3 lithium aluminium tetrahydride 
• 1291-32-3 zirconocene dichloride 
• 12636-72-5 bis(cyclopentadienyl)dimethylzirconium(IV) 
• 16842-00-5 trimethylamine alane 
• 672-66-2 Dimethyl(phenyl)phosphine 
• 80789-42-0 (C₅H₅)2ZrCH(CH₂)5H 
• 69058-71-5 (η5-C5H5)2Zr(H)(CH2Cy) 
• 1191-15-7 diisobutylaluminium hydride 

Downstream Products

• 55102-19-7 hydridochlorotris(triphenylphosphine)ruthenium(II) 
• 1291-32-3 zirconocene dichloride 
• 15628-25-8 Ni⁽⁰⁾(1,2-bis(diphenylphosphino)ethane)2 
• 14221-01-3 tetrakis(triphenylphosphine) palladium⁽⁰⁾ 
• 85959-82-6 benzhydrylzirconocene chloride 
• 100909-18-0 benzhydrylzirconocene methoxide 
• 96645-34-0 (C₅H₅)2ZrH(P(C₆H₅)2CH₃) 

Relevant academic research and scientific papers

The reactions of Lewis bases with tetrahydroborate derivatives of the group IVa elements. The preparation of new zirconium hydride species

Bis(π-cyclopentadienyl)zirconium bistetrahydroborate,1 (C5H5)2Zr(BH4)2, reacts with 1 and 2 moles of trialkylamines to produce the new hydride species bis(π-cyclopentadienyl)zirconium hydri

H2-Acceptorless Dehydrogenative Boration and Transfer Boration of Alkenes Enabled by Zirconium Catalyst

The first example of an efficient and direct dehydrogenative boration of alkenes for vinyl boronate ester synthesis was achieved using a zirconium catalyst. Our methodology avoids using precious transition metals, additional hydrogen acceptors, high temperatures, and long reaction times, which were required to overcome the reducing ability of borane, to give alkyl boronate esters. Detailed mechanistic studies revealed a reversible reaction pathway and further suggested applying the zirconium complex as a “shuttle catalyst” for transfer boration, which thus sidesteps the use of relatively sensitive borane.

Construction of β to carbonyl stereogenic centres by asymmetric 1,4-addition of alkylzirconocenes to dienones and ynenones

Copper-catalyzed asymmetric 1,4-addition of alkylzirconium species to linear α,β,γ,δ unsaturated dienones and ynenones is reported. A variety of alkyl nucleophiles are introduced with good yields and excellent regio- and enantio-selectivities to give tertiary carbon centres bearing multiple functional groups. The method is also applicable to an ynethioate with ee's over 96%.

Reaction of cyclopentadienyl zirconium derivatives with sterically encumbered arylaluminum hydrides: X-ray crystal structure of (η5-C5H5)2(H)Zr(μ 2-H)2Al(H)C6H2-2,4,6-Bu t3

The novel reactions between Cp2ZrMe2 (Cp=η5-C5H5) and (Mes*AlH)2 (Mes=C6H2-2,4,6-But3) to afford Cp2(H)Zr(μ2-H)2Al(Me)Mes* (1) and between Cp2Zr(Cl)H and [Mes*AlH3Li(THF)2]2 to give Cp2(H)Zr(μ2-H)2Al(H)Mes* (2) are described. The X-ray crystal structure and NMR spectroscopy of 1 indicate that, in the crystalline product, a methyl group has been transferred from zirconium to aluminum, and the metals have been connected by two hydrogen bridges. The compounds Cp2ZrH2 and Mes*AlMe2 were also obtained as reaction products in the synthesis of 1. The aluminum center is four-coordinate in contrast to the five- or six-coordination observed in previously published complexes. Compound 2, which is believed to have a very similar structure to that of 1, was obtained in moderate yield as a colorless crystalline material.

Disproportionation of cationic zirconium complexes: A possible pathway to the deactivation of catalytic cationic systems

Protonolysis of the zirconium borohydride [(C5H4R)2Zr(BH4)2] (R = H, Me, SiMe3) with NHMe2PhBPh4 in THF leads to the corresponding cationic zirconium complex [(C5H4R)2Zr-(BH4)(THF)]BPh 4, and the structure of [(C5H4Me)2Zr(BH4)(THF)]BPh 4 was determined. In the presence of phosphine, PMe2Ph, the formation of the cationic hydride [(C5H4R)2ZrH-(PMe2Ph) 2]BPh4 is observed by 1H and 31P NMR followed by a disproportionation and a redox reaction with [BPh4]-, giving the neutral [(C5H4R)2ZrH(μ-H)]2 and the cationic ZrIII species [(C5H4R)2Zr(PMe2Ph) 2]BPh4 characterized by EPR spectroscopy and suggesting a probable pathway in the deactivation of cationic catalyst systems.