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Bis(cyclopentadienyl)dimethylzirconium(IV)

Bis(cyclopentadienyl)dimethylzirconium(IV)

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Catalog Number

ACM12636725-2

Product Name

Structure

CAS

12636-72-5

Product Overview
Usage

Synonyms

Bis(cyclopentadienyl)dimethylzirconium(IV);12636-72-5;ACMC-1BT5Q;CTK8A9923;ANW-18929;AKOS025294239;TC-107674;

IUPAC Name

carbanide;cyclopenta-1,3-diene;zirconium(4+);

Molecular Weight

251.484g/mol

Molecular Formula

C12H16Zr;

Canonical SMILES

[CH3-].[CH3-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+4];

InChI

InChI=1S/2C5H5.2CH3.Zr/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H3;/q4*-1;+4;

InChI Key

DODJODCRXRWTMX-UHFFFAOYSA-N;

Storage

below 5° C

Complexity

163

Covalently-Bonded Unit Count

Exact Mass

250.03g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

250.03g/mol

Topological Polar Surface Area

0A^2

Application

Bis(cyclopentadienyl)dimethylzirconium(IV) is a versatile compound, identifiable by its pale yellow to yellow crystal or needle-like form, that serves multiple critical roles in chemical reactions. It acts as a catalyst in cationic ring-opening polymerization reactions and is instrumental in achieving Markovnikov-selective intermolecular hydrothiolation of terminal alkynes. Furthermore, it plays a key role in Ziegler-Natta polymerizations of alkenes and facilitates the methylalumination of heterosubstituted arylethynes. Additionally, it serves as a precatalyst for the intramolecular hydroamination and cyclisation of aminoallenes, showcasing its adaptability and importance in advanced synthetic chemistry.

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12636-72-5
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