165688-64-2

Basic information

• Product Name: Bis(2-methylindenyl)zirconium dichloride
• Synonyms: DICHLOROBIS(2-METHYLINDENYL)ZIRCONIUM(I&;Bis(2-methylindenyl)zirkoniumdichlorid;Bis(2-methylindenyl)zirconiumdichloride,98%;Bis(2-methylindenyl)zirconium(IV) dichloride, 98+%;DICHLOROBIS(2-METHYLINDENYL)ZIRCONIUM(IV);BIS(2-METHYLINDENYL)ZIRCONIUM DICHLORIDE;BIS(2-METHYLINDENYL)ZIRCONIUM(IV) DICHLORIDE
• CAS NO: 165688-64-2
• Molecular Formula: C20H18Cl2Zr
• Molecular Weight: 420.49
• Product Categories: arene-metal complexes
• Mol File: 165688-64-2.mol

Chemical Properties

• Melting Point: 234-237°C
• Appearance: yellow/Powder
• Sensitive: Air & Light Sensitive
• CAS DataBase Reference: Bis(2-methylindenyl)zirconium dichloride(CAS DataBase Reference)
• NIST Chemistry Reference: Bis(2-methylindenyl)zirconium dichloride(165688-64-2)
• EPA Substance Registry System: Bis(2-methylindenyl)zirconium dichloride(165688-64-2)

Safety Data

• HazardClass: 8
• Hazardous Substances Data: 165688-64-2(Hazardous Substances Data)

Usage

Uses

Used in Polymer Industry:
Bis(2-methylindenyl)zirconium dichloride is used as a catalyst for the polymerization of olefins such as ethylene and propylene. It is valued for its high activity and selectivity in these reactions, which is crucial for the production of industrially important polymers.
Used in Catalysis Research:
Bis(2-methylindenyl)zirconium dichloride is also utilized as a catalyst in various organic reactions beyond polymerization, including the synthesis of fine chemicals and pharmaceuticals. Its versatility and effectiveness in catalysis make it a promising tool for research and development in the field of catalysis.

InChI:InChI=1/2C10H9.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h2*2-7H,1H3;2*1H;/q;;;;+2/p-2/rC20H18Zr.2ClH/c1-13-11-15-7-3-5-9-17(15)19(13)21-20-14(2)12-16-8-4-6-10-18(16)20;;/h3-12,19-20H,1-2H3;2*1H/q+2;;/p-2

Upstream product

• 21959-01-3 zirconium tetrachloride bis(tetrahydrofuran) complex 
• 2177-47-1 2-Methylindene 
• 10026-11-6 zirconium(IV) chloride 

Relevant articles and documents

Zirconium bis-indenyl compounds. Synthesis and X-ray crystallography study of 1- and 2-substituted bis(R-indenyl)zirconium dichloride metallocenes

A series of 1- and 2-substituted indenyl ligands were prepared and used in the synthesis of [1-R-Ind]2ZrCl2 [R = Me (2b), Et (4b), iPr (5b), tBu (6b), SiMe3 (8b), Ph (10b), Bz (12b), 1-Naph (14b)] and [2-R-Ind]2ZrCl2 [R = Me (1b), Et (3b), SiMe3 (7b), Ph (9b), Bz (11b), 1-Naph (13b)] metallocenes. An X-ray crystallographic study of 4b and 10b showed the complexes to be the racemic diastereomers (4b, both the R,R and S,S-enantiomers and 10b, the S,S-enantiomer). The X-ray data together with NMR spectral data revealed that the size of the substituent influenced the orientation the two indenyl ligands of the metallocenes. The 4b diastereomers are both found to crystallize with their ethyl groups syn (bis-central) with respect to each other whereas the larger phenyl groups in 10b results in an anti (bis-lateral) orientation of the indenyl ligands.

Synthesis and characterization of new bis(2-R-indenyl) zirconium dichloride complexes for the olefin polymerization

A series of 2-alkylindene(2-RInd; R=Me, i-Pr, n-Bu, Bzl, Cy, t-Bu) were prepared by nucleophilic addition of the corresponding alkyl anions to 2-indanone in the presence (or absence) of LaCl3. With these 2-alkylindenes, bis(2-alkylindenyl)zirconium dichloride complexes were synthesized to investigate the effects of alkyl substituents at 2-position of indene on the rotational conversion rate between rotamers (racemic and meso) and the catalytic activities toward olefin polymerization. Analysis of NMR spectra could line up the electron donating abilities and steric bulkiness of alkyl substituents in order and variable temperature NMR analysis (from 298 to 193 K) proved that these alkyls could not freeze free rotation of indenyl ligands. These complexes showed catalytic activities toward ethylene and propylene polymerization and the variation of catalytic activities(PE, Me〉Cy〉i-Pr〉Bzl〉n-Bu; PP, Me〉n-Bu〉i-Pr〉Cy〉Bzl), molecular weights(PE, n-Bu〉Cy〉i-Pr〉Me〉Bzl; PP, n-Bu〉Me〉Cy〉i-Pr〉Bzl), and polydispersities(PE, 2.80-5.05; PP, 2.23-3.30) were rationalized with steric, electronic, and structural factors. Steric bulkiness of substituents played an important role in the propylene polymerization but relative importance of these factors were different in the ethylene polymerization.