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Bis(cyclopentadienyl)dimethylzirconium(IV)

Catalog Number
ACM12636725-2
Product Name
Bis(cyclopentadienyl)dimethylzirconium(IV)
Structure
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CAS
12636-72-5
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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
5
Exact Mass
250.03g/mol
H-Bond Acceptor
4
Heavy Atom Count
13
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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