2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptane-1,1-diol

Base Information

• Chemical Name: 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptane-1,1-diol
• CAS No.: 64739-16-8
• Molecular Formula: C7H3F13O2
• Molecular Weight: 366.079
• Hs Code.: 2912190090
• DSSTox Substance ID: DTXSID00446247
• Nikkaji Number: J856.287C
• Wikidata: Q81985975
• Mol file: 64739-16-8.mol

Synonyms:64739-16-8;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptane-1,1-diol;1,1-Heptanediol, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-;2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1,1-heptanediol;SCHEMBL8614205;Perfluoroheptanal hydrate (diol);DTXSID00446247;MFCD00407119;AKOS025310434

Chemical Property of 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptane-1,1-diol

Chemical Property:

• PSA: 40.46000
• LogP: 3.03590
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 5
• Exact Mass: 365.9925454
• Heavy Atom Count: 22
• Complexity: 409

Purity/Quality:

99%, ^*data from raw suppliers

Perfluoroheptanal hydrate (diol) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(O)O

Technology Process of 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptane-1,1-diol

There total 4 articles about 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptane-1,1-diol 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: 82.0%

n-perfluorohexyl iodide (355-43-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane (355-37-3) + 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptane-1,1-diol (64739-16-8)

Guidance literature:

With aluminium; tin(ll) chloride; for 0.25h; Yields of byproduct given; Irradiation;

DOI:10.1016/S0022-1139(96)03551-8

Reference yield: 79.0%

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-ol (375-82-6) → 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptane-1,1-diol (64739-16-8)

Guidance literature:

With trifluorormethanesulfonic acid; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dichloromethane; at 0 - 40 ℃;

DOI:10.1039/c9cc04203b

Reference yield: 70.0%

N-formyldiethylamine (617-84-5) + n-perfluorohexyl iodide (355-43-1) → N,N-diethylperfluoroheptylamide (61881-15-0) + 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptane-1,1-diol (64739-16-8)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); copper; zinc; for 0.333333h;

DOI:10.1016/0022-1139(94)03089-I

upstream raw materials:

N-formyldiethylamine

n-perfluorohexyl iodide

N,N-dimethyl-formamide

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-ol

Downstream raw materials:

perfluorohexyl aldehyde

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