9,9-Bis(2-ethylhexyl)-2,7-diiodofluorene

Base Information

• Chemical Name: 9,9-Bis(2-ethylhexyl)-2,7-diiodofluorene
• CAS No.: 278176-08-2
• Molecular Formula: C29H40 I2
• Molecular Weight: 642.43700
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID50402252
• Nikkaji Number: J1.664.386F
• Mol file: 278176-08-2.mol

Synonyms:278176-08-2;9,9-bis(2-ethylhexyl)-2,7-diiodofluorene;9,9-Bis(2-ethylhexyl)-2,7-diiodo-9H-fluorene;9 9-BIS(2-ETHYLHEXYL)-2 7-DIIODO-9H-FLU&;SCHEMBL5347840;DTXSID50402252;2,7-Diiodo-9,9-di(2-ethylhexyl)-9H-fluorene

Chemical Property of 9,9-Bis(2-ethylhexyl)-2,7-diiodofluorene

Chemical Property:

• Refractive Index: n20/D 1.6060(lit.)
• Flash Point: >230 °F
• PSA: 0.00000
• Density: 1.381 g/mL at 25oC(lit.)
• LogP: 10.37530
• XLogP3: 12.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 12
• Exact Mass: 642.12195
• Heavy Atom Count: 31
• Complexity: 471

Purity/Quality:

99% ^*data from raw suppliers

9,9-BIS(2-ETHYLHEXYL)-2,7-DIIODO-9H-FLUORENE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)CC1(C2=C(C=CC(=C2)I)C3=C1C=C(C=C3)I)CC(CC)CCCC

Technology Process of 9,9-Bis(2-ethylhexyl)-2,7-diiodofluorene

There total 1 articles about 9,9-Bis(2-ethylhexyl)-2,7-diiodofluorene 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: 75.0%

3-bromomethylheptane (18908-66-2) + 2,7-diiodofluorene (16218-28-3) → 2,7-diiodo-9,9'-bis(2-ethylhexyl)fluorene (278176-08-2)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran;

DOI:10.1021/ol061476b

Reference yield: 40.0%

2,7-diiodo-9,9'-bis(2-ethylhexyl)fluorene (278176-08-2) + phenylboronic acid (98-80-6) → 9,9-bis-(2-ethyl-hexyl)-2-iodo-9H-fluorene + 2,7-bisphenyl-9,9'-bis(2-ethylhexyl)fluorene + 9,9-bis-(2-ethylhexyl)-9H-fluorene (367524-07-0)

Guidance literature:

With potassium phosphate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; tri-tert-butyl phosphine; In tetrahydrofuran; at 80 ℃; for 120h;

DOI:10.1021/ol061476b

Reference yield:

2,7-diiodo-9,9'-bis(2-ethylhexyl)fluorene (278176-08-2) → C77H99NSi

Guidance literature:

Multi-step reaction with 2 steps

1: bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine; copper(l) iodide; triethylamine / tetrahydrofuran / 48 h / 20 °C / Inert atmosphere

2: bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine; copper(l) iodide; triethylamine / tetrahydrofuran / 24 h / 50 °C / Inert atmosphere

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; triphenylphosphine; In tetrahydrofuran;

DOI:10.1039/c6cp02628a

upstream raw materials:

3-bromomethylheptane

2,7-diiodofluorene

Downstream raw materials:

9,9-bis-(2-ethylhexyl)-9H-fluorene