9H-Fluorene, 9,9-didodecyl-2,7-diiodo-

Base Information

• Chemical Name: 9H-Fluorene, 9,9-didodecyl-2,7-diiodo-
• CAS No.: 278176-07-1
• Molecular Formula: C₃₇H₅₆I₂
• Molecular Weight: 754.661
• DSSTox Substance ID: DTXSID501289517
• Nikkaji Number: J1.664.385H
• Mol file: 278176-07-1.mol

Synonyms:278176-07-1;9H-FLUORENE, 9,9-DIDODECYL-2,7-DIIODO-;DTXSID501289517;2,7-Diiodo-9,9-didodecyl-9H-fluorene;9,9-Didodecyl-2,7-diiodo-9H-fluorene;2,7-Diiodo-9,9-di(iododecyl)-9H-fluorene, 97%

Chemical Property of 9H-Fluorene, 9,9-didodecyl-2,7-diiodo-

Chemical Property:

• Melting Point: 35-39 °C(lit.)
• Boiling Point: 679.2±48.0 °C(Predicted)
• Flash Point: >230 °F
• Density: 1.265±0.06 g/cm3(Predicted)
• XLogP3: 17.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 22
• Exact Mass: 754.24715
• Heavy Atom Count: 39
• Complexity: 550

Purity/Quality:

97% ^*data from raw suppliers

2,7-DIIODO-9,9-DI(IODODECYL)-9H-FLUORENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCC1(C2=C(C=CC(=C2)I)C3=C1C=C(C=C3)I)CCCCCCCCCCCC

Technology Process of 9H-Fluorene, 9,9-didodecyl-2,7-diiodo-

There total 2 articles about 9H-Fluorene, 9,9-didodecyl-2,7-diiodo- 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: 90.0%

2,7-diiodofluorene (16218-28-3) + 1-dodecylbromide (143-15-7) → 9,9-didodecyl-2,7-diiodo-9H-fluorene (278176-07-1)

Guidance literature:

With tetrabutylammomium bromide; In water; toluene; at 20 ℃; Inert atmosphere;

DOI:10.1039/d0tc04571c

Reference yield:

9H-fluorene (86-73-7) → 9,9-didodecyl-2,7-diiodo-9H-fluorene (278176-07-1)

Guidance literature:

Multi-step reaction with 2 steps

1: iodine; sulfuric acid; acetic acid; potassium iodate / water / 10 h / 80 °C / Inert atmosphere

2: tetrabutylammomium bromide / water; toluene / 20 °C / Inert atmosphere

With potassium iodate; sulfuric acid; tetrabutylammomium bromide; iodine; acetic acid; In water; toluene;

DOI:10.1039/d0tc04571c

Reference yield:

9,9-didodecyl-2,7-diiodo-9H-fluorene (278176-07-1) → C75H92N2O6S2

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / tetrahydrofuran; water / 15 h / 78 °C / Inert atmosphere

2: sodium methylate / ethanol / 12 h / Reflux; Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium methylate; potassium carbonate; In tetrahydrofuran; ethanol; water; 1: |Suzuki Coupling / 2: |Knoevenagel Condensation;

DOI:10.1039/d0tc04571c

upstream raw materials:

2,7-diiodofluorene

1-dodecylbromide

9H-fluorene

Refernces

• 1、 Dong, Wendan,Hu, Zhun,Wang, Ziqi,Sun, Bing,Zhang, Xueqiong,Zhang, Fang-Lin. "One-pot synthesis of benzofluorene fused aromatic hydrocarbons". supporting information. . Retrieved 2019/11/13.