3-(Perfluorooctyl)propyl iodide

Base Information

• Chemical Name: 3-(Perfluorooctyl)propyl iodide
• CAS No.: 200112-75-0
• Molecular Formula: C11H6F17I
• Molecular Weight: 588.046
• European Community (EC) Number: 628-752-0
• DSSTox Substance ID: DTXSID40457135
• Nikkaji Number: J1.607.424A
• Wikidata: Q81986006
• Mol file: 200112-75-0.mol

Synonyms:3-(Perfluorooctyl)propyl iodide;200112-75-0;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-11-iodoundecane;3-(PERFLUOROOCTYL)PROPYLIODIDE;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl iodide;Undecane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-11-iodo-;SCHEMBL1217949;C11H6F17I;AMY7060;DTXSID40457135;MFCD03788336;AKOS015894707;AS-72462;CS-0199358;N12141;(2-hydroxy-2-p-tolyl-ethyl)-carbamicacidtert-butylester;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl iodide, >=99%;3-(Perfluorooctyl)propyl iodide 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-11-iodoundecane 1H,1H,2H,2H,3H,3H-Perfluoroundecyl iodide

Chemical Property of 3-(Perfluorooctyl)propyl iodide

Chemical Property:

• Vapor Pressure: 0.0371mmHg at 25°C
• Melting Point: 32-36°C
• Boiling Point: 249oC at 760 mmHg
• Flash Point: 112.7oC
• PSA: 0.00000
• Density: 1.826g/cm3
• LogP: 7.21100
• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 9
• Exact Mass: 587.92428
• Heavy Atom Count: 29
• Complexity: 574

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(Perfluorooctyl)propylIodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CI
• Uses: 3-(Perfluorooctyl)propyl iodide (CAS# 200112-75-0) is a perfluoroalkyl-containing building block used in the preparation of fluoroalkylalkylthiols via Zemplen deacylation. It is also used in the automated fluorous-assisted solution-phase oligosaccharide synthesis via activation of thioglycoside donors.

Technology Process of 3-(Perfluorooctyl)propyl iodide

There total 5 articles about 3-(Perfluorooctyl)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: 85.0%

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-ol (1651-41-8) → 3-(perfluorooctyl)propyl iodide (200112-75-0)

Guidance literature:

With phosphoric acid; phosphorus pentoxide; potassium iodide;

DOI:10.1002/anie.199723461

Reference yield:

11-chloro-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-undecane → 3-(perfluorooctyl)propyl iodide (200112-75-0)

Guidance literature:

With potassium iodide; In water; at 100 ℃; for 120h;

DOI:10.1021/ol0706354

Reference yield:

3-perfluoro-n-octyl-2-iodo-1-propanol (38550-45-7) → 3-(perfluorooctyl)propyl iodide (200112-75-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / LiAlH₄ / tetrahydrofuran

2: 76 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:

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-ol

1-iodoheptadecafluorooctane

3-perfluoro-n-octyl-2-iodo-1-propanol

Downstream raw materials:

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-amine

1-phenyl-5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoroundecane