6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoroundecan-1-ol

Base Information

• Chemical Name: 6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoroundecan-1-ol
• CAS No.: 134052-02-1
• Molecular Formula: C11H11F13O
• Molecular Weight: 406.18
• Hs Code.: 2905190098
• DSSTox Substance ID: DTXSID40447874
• Nikkaji Number: J1.147.492F
• Wikidata: Q82266769
• Mol file: 134052-02-1.mol

Synonyms:134052-02-1;6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecan-1-ol;1H,1H,2H,2H,3H,3H,4H,4H,5H,5H-PERFLUOROUNDECAN-1-OL;5-(Perfluorohexyl)pentan-1-ol;SCHEMBL5570616;DTXSID40447874;6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoroundecane-1-ol

Chemical Property of 6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoroundecan-1-ol

Chemical Property:

• PSA: 20.23000
• LogP: 5.27790
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 9
• Exact Mass: 406.0602311
• Heavy Atom Count: 25
• Complexity: 440

Purity/Quality:

98%min ^*data from raw suppliers

1H,1H,2H,2H,3H,3H,4H,4H,5H,5H-PERFLUOROUNDECAN-1-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO

Technology Process of 6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoroundecan-1-ol

There total 7 articles about 6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoroundecan-1-ol 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%

5-(n-perfluorohexyl)-4-iodo-pentylacetate (145193-77-7) → 5-(perfluorohexyl)pentanol (134052-02-1)

Guidance literature:

With hydrogenchloride; zinc; In ethanol;

DOI:10.1016/j.jfluchem.2005.08.004

Reference yield: 76.0%

5-(F-hexyl)-4-iodopentanol (132665-00-0) → 5-(perfluorohexyl)pentanol (134052-02-1)

Guidance literature:

With hydrogen; diethylamine; palladium on activated charcoal; In ethanol; ethyl acetate; for 0.5h; under 9120 Torr;

DOI:10.1016/S0022-1139(99)00078-0

Reference yield:

Tetrahydrofurfuryl chloride (3003-84-7) → 5-(perfluorohexyl)pentanol (134052-02-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: Na / diethyl ether / 2 h / Heating

1.2: 90 percent / H₂O

2.1: 90 percent / AIBN / 80 °C

3.1: 76 percent / H₂; diethylamine / 5 percent Pd/C / ethanol; ethyl acetate / 0.5 h / 9120 Torr

With 2,2'-azobis(isobutyronitrile); hydrogen; sodium; diethylamine; palladium on activated charcoal; In diethyl ether; ethanol; ethyl acetate; 1.1: Metallation / 1.2: Hydrolysis / 2.1: Addition / 3.1: Reduction;

DOI:10.1016/S0022-1139(99)00078-0

upstream raw materials:

5-(n-perfluorohexyl)-4-iodo-pentylacetate

n-Pent-4-enyl alcohol

n-perfluorohexyl iodide

5-(F-hexyl)-4-iodopentanol

Downstream raw materials:

toluene-4-sulfonic acid 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecanfluoro-undecyl ester