2,7-Di-tert-butylfluorene

Base Information

• Chemical Name: 2,7-Di-tert-butylfluorene
• CAS No.: 58775-05-6
• Molecular Formula: C21H26
• Molecular Weight: 278.437
• Hs Code.: 29029090
• DSSTox Substance ID: DTXSID70399195
• Nikkaji Number: J90.011G
• Wikidata: Q72470025
• Mol file: 58775-05-6.mol

Synonyms:Fluorene,2,7-di-tert-butyl- (4CI);2,7-Di-tert-butyl-9H-fluorene;2,7-Di-tert-butylfluorene;2,7-di-tert-butyl-9H-fluorene;9H-fluorene, 2,7-bis(1,1-dimethylethyl)-;

Chemical Property of 2,7-Di-tert-butylfluorene

Chemical Property:

• Vapor Pressure: 2.06E-05mmHg at 25°C
• Melting Point: 121-124 °C(lit.)
• Refractive Index: 1.556
• Boiling Point: 372.4 °C at 760 mmHg
• Flash Point: 194.2 °C
• PSA: 0.00000
• Density: 0.988 g/cm³
• LogP: 5.85280
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in toluene, hot methanol.
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 278.203450829
• Heavy Atom Count: 21
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

2,7-Di-tert-butylfluorene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(C)(C)C
• Uses: It is used as an organic light emitting diode (OLED) intermediate. 2,7-Di-tert-butylfluorene may be used in the preparation of:2,7-di-tert-butyl-9-fluorenylmethanol2,7-di-tert-butyl-9-[ [(p-chlorophenyl)amino]methylene]-fluorenedihydrocyclohepta[def]fluorenenew group 4 metal complexes containing aminofluorenyl ligands

Technology Process of 2,7-Di-tert-butylfluorene

There total 5 articles about 2,7-Di-tert-butylfluorene 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: 93.0%

9H-fluorene (86-73-7) + tertiary butyl chloride (507-20-0) → 2,7-di-tert-butyl-9H-fluorene (58775-05-6)

Guidance literature:

With iron(III) chloride; In carbon disulfide; at 0 - 20 ℃;

DOI:10.1021/jo9915832

Reference yield: 85.0%

2,7-di-tert-butylfluorenone (58775-13-6) → 2,7-di-tert-butyl-9H-fluorene (58775-05-6)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In diethylene glycol dimethyl ether; water; Heating;

DOI:10.1021/jo049504w

Reference yield: 83.0%

9H-fluorene (86-73-7) + 2,6-di-tert-butyl-4-methyl-phenol (128-37-0) → 2,7-di-tert-butyl-9H-fluorene (58775-05-6)

Guidance literature:

With aluminium trichloride; In nitromethane; for 0.25h;

DOI:10.1055/s-1984-30835

upstream raw materials:

9H-fluorene

tertiary butyl chloride

2,6-di-tert-butyl-4-methyl-phenol

aluminium trichloride

Downstream raw materials:

4-[4-(2,7-Di-tert-butyl-9H-fluoren-9-yl)-butoxy]-benzoic acid methyl ester

4-methylfluorene

4-bromo-9H-fluorene

4-acetylaminofluorene

Refernces

• 1、 Wang, Denan,Ivanov, Maxim V.,Kokkin, Damian,Loman, John,Cai, Jin-Zhe,Reid, Scott A.,Rathore, Rajendra. "The Role of Torsional Dynamics on Hole and Exciton Stabilization in π-Stacked Assemblies: Design of Rigid Torsionomers of a Cofacial Bifluorene". . p. 8189 - 8193. Retrieved 2018.
• 2、 Wang, Jing,Wan, Wen,Jiang, Haizhen,Gao, Yan,Jiang, Xueyin,Lin, Huaping,Zhao, Weiming,Hao, Jian. "C-9 fluorenyl substituted anthracenes: A promising new family of blue luminescent materials". supporting information; experimental part. p. 3874 - 3877. Retrieved 2010/11/18.