3-(PERFLUOROBUTYL)PROPYL IODIDE

Base Information

• Chemical Name: 3-(PERFLUOROBUTYL)PROPYL IODIDE
• CAS No.: 183547-74-2
• Molecular Formula: C7H6 F9 I
• Molecular Weight: 388.015
• European Community (EC) Number: 627-268-7
• DSSTox Substance ID: DTXSID40475879
• Nikkaji Number: J785.734I
• Mol file: 183547-74-2.mol

Synonyms:3-Perfluorobutyl-1-iodopropane;3-Perfluorobutylpropyl iodide; 4,4,5,5,6,6,7,7,7-Nonafluoroheptyl iodide

Chemical Property of 3-(PERFLUOROBUTYL)PROPYL IODIDE

Chemical Property:

• Vapor Pressure: 1.34mmHg at 25°C
• Refractive Index: n20/D 1.381
• Boiling Point: 178.393°C at 760 mmHg
• Flash Point: 77 °C
• PSA: 0.00000
• Density: 1.828 g/mL at 25 °C
• LogP: 4.66980
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 387.93705
• Heavy Atom Count: 17
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

4,4,5,5,6,6,7,7,7-NONAFLUOROHEPTYL IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CI

Technology Process of 3-(PERFLUOROBUTYL)PROPYL IODIDE

There total 3 articles about 3-(PERFLUOROBUTYL)PROPYL IODIDE 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: 100.0%

4,4,5,5,5,6,6,7,7,7-nonafluoro-1-heptanol (83310-97-8) → 1-iodine-1H,1H,2H,2H,3H,3H-perfluoroheptane (183547-74-2)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.tetlet.2006.05.142

Reference yield: 87.0%

1-methanesulfonyloxy-4,4,5,5,6,6,7,7,7-nonafluoroheptane (344397-43-9) → 1-iodine-1H,1H,2H,2H,3H,3H-perfluoroheptane (183547-74-2)

Guidance literature:

With sodium iodide; In water; acetone;

Reference yield:

3?(perfluoro?n?butyl)?2?iodo?1?propanol (80233-96-1) → 1-iodine-1H,1H,2H,2H,3H,3H-perfluoroheptane (183547-74-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / LiAlH₄ / tetrahydrofuran

2: 100 percent / PPh₃; I₂; imidazole / CH₂Cl₂ / 0 - 20 °C

With 1H-imidazole; lithium aluminium tetrahydride; iodine; triphenylphosphine; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.tetlet.2006.05.142

upstream raw materials:

4,4,5,5,5,6,6,7,7,7-nonafluoro-1-heptanol

3?(perfluoro?n?butyl)?2?iodo?1?propanol

1-methanesulfonyloxy-4,4,5,5,6,6,7,7,7-nonafluoroheptane

Refernces

• 1、 Sosa-Vargas, Lydia,Nekelson, Fabien,Okuda, Daiju,Takahashi, Minokazu,Matsuda, Yukimasa,Dao, Quang-Duy,Hiroyuki, Yoshida,Fujii, Akihiko,Ozaki, Masanori,Shimizu, Yo. "Liquid crystalline and charge transport properties of novel non-peripherally octasubstituted perfluoroalkylated phthalocyanines". . p. 1757 - 1765. Retrieved 2015/10/20.
• 2、 -. "3-methyl-chroman and -thiochroman derivatives". . . Retrieved 2008/06/13.