7-(4-Tert-butylphenyl)-2-methyl-1H-indene

Base Information

• Chemical Name: 7-(4-Tert-butylphenyl)-2-methyl-1H-indene
• CAS No.: 245653-52-5
• Molecular Formula: C20H22
• Molecular Weight: 262.395
• Hs Code.: 2902909090
• European Community (EC) Number: 456-850-1
• DSSTox Substance ID: DTXSID00438642
• Wikidata: Q72504063
• Mol file: 245653-52-5.mol

Synonyms:245653-52-5;7-(4-(tert-Butyl)phenyl)-2-methyl-1H-indene;7-(4-TERT-BUTYLPHENYL)-2-METHYL-1H-INDENE;1H-Indene, 7-[4-(1,1-dimethylethyl)phenyl]-2-methyl-;2-methyl-7-(4-tert-butylphenyl)-1H-indene;AMY7563;DTXSID00438642;PTXKTRAWAVSZKX-UHFFFAOYSA-N;MFCD11559105;AKOS016007164;AC-30809;AS-69081;BB 0220669;CS-0061347;FT-0774742;A854259

Chemical Property of 7-(4-Tert-butylphenyl)-2-methyl-1H-indene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.569
• Boiling Point: 389.402 °C at 760 mmHg
• Flash Point: 207.262 °C
• PSA: 0.00000
• Density: 1.002 g/cm³
• LogP: 5.61050
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 262.172150702
• Heavy Atom Count: 20
• Complexity: 362

Purity/Quality:

99.9% ^*data from raw suppliers

7-(4-tert-Butylphenyl)-2-methyl-1H-indene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C1)C(=CC=C2)C3=CC=C(C=C3)C(C)(C)C
• Uses: 7-(4-tert-Butylphenyl)-2-methyl-1H-indene is used in the polymerization process towards the preparation of propylene homopolymer in the presence of a catalyst comprising metallocene, borate, and aluminoxane.

Technology Process of 7-(4-Tert-butylphenyl)-2-methyl-1H-indene

There total 3 articles about 7-(4-Tert-butylphenyl)-2-methyl-1H-indene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

4(7)-bromo-2-methyl-1(3)H-indene (880652-93-7) + 4-tert-butylmagnesium bromide (63488-10-8) → 7-(4-tert-butylphenyl)-2-methyl-1H-indene (245653-52-5)

Guidance literature:

With (IPr)NiCl₂PPh₃; In tetrahydrofuran; at 20 ℃; for 0.833333h; Reflux;

Reference yield: 28.0%

4-tert-butyl-2',3'-bis(chloromethyl)biphenyl (683229-41-6) + acetic acid methyl ester (79-20-9) → 7-(4-tert-butylphenyl)-2-methyl-1H-indene (245653-52-5) + 4-(4-(tert-butyl)phenyl)-2-methyl-1H-indene

Guidance literature:

4-tert-butyl-2',3'-bis(chloromethyl)biphenyl; With magnesium-anthracene; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

acetic acid methyl ester; In tetrahydrofuran; at 0 - 20 ℃;

toluene-4-sulfonic acid; In toluene; for 1.5h; Heating / reflux;

Reference yield:

4(7)-bromo-2-methyl-1(3)H-indene (880652-93-7) + 1-bromo-4-tert-butylbenzene (3972-65-4) → 7-(4-tert-butylphenyl)-2-methyl-1H-indene (245653-52-5) + 4-(4-(tert-butyl)phenyl)-2-methyl-1H-indene

Guidance literature:

1-bromo-4-tert-butylbenzene; With magnesium; In tetrahydrofuran; Inert atmosphere; Schlenk technique; Glovebox;

4⁽⁷⁾-bromo-2-methyl-1⁽³⁾H-indene; With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](triphenylphosphine)nickel(II) dichloride; In tetrahydrofuran; for 0.833333h; Overall yield = 96 %; Overall yield = 93.8 g; Inert atmosphere; Schlenk technique; Glovebox; Reflux;

upstream raw materials:

4-tert-butyl-2',3'-bis(chloromethyl)biphenyl

acetic acid methyl ester

4⁽⁷⁾-bromo-2-methyl-1⁽³⁾H-indene

4-tert-butylmagnesium bromide

Downstream raw materials:

[6-tert-Butyl-4-(3,5-di-tert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl] [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]dimethylsilane

(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl] dimethylsilane

[2-methyl-4-(3,5-di-tert-butylphenyl)-6-tert-Butyl-1H-inden-1-yl] [2-methyl-4-(4-tert-butylphenyl)-1H-inden-1-yl] dimethylsilane

[2-methyl-4-(4-tert-butylphenyl)-1H-inden-1-yl](chloro)dimethylsilane

Refernces

• 1、 -. "CATALYSTS". Page/Page column 54. . Retrieved 2013/03/26.