4,4,5,5,6,6,6-Heptafluorohexan-1-ol

Base Information

• Chemical Name: 4,4,5,5,6,6,6-Heptafluorohexan-1-ol
• CAS No.: 679-02-7
• Molecular Formula: C₆H₇F₇O
• Molecular Weight: 228.11
• Hs Code.: 2905599890
• European Community (EC) Number: 671-785-0
• DSSTox Substance ID: DTXSID60379269
• Wikidata: Q81985778
• Mol file: 679-02-7.mol

Synonyms:4,4,5,5,6,6,6-heptafluorohexan-1-ol;679-02-7;3-(Perfluoropropyl)propanol;1h,1h,2h,2h,3h,3h-perfluorohexan-1-ol;4,4,5,5,6,6,6-heptafluoro-1-hexanol;C6H7F7O;3-(perfluoropropyl)propan-1-ol;SCHEMBL866197;DTXSID60379269;VACKBPFJJWRSAO-UHFFFAOYSA-N;MFCD00077554;AKOS005258190;BS-53376;FT-0616984;5-CHOLESTEN-3BETA-OL3-P-NITROBENZOATE;E84202;A835929

Chemical Property of 4,4,5,5,6,6,6-Heptafluorohexan-1-ol

Chemical Property:

• Vapor Pressure: 23.7mmHg at 25°C
• Refractive Index: 1.32
• Boiling Point: 97.9 °C at 760 mmHg
• PKA: 14.79±0.10(Predicted)
• Flash Point: 13 °C
• PSA: 20.23000
• Density: 1.396 g/cm³
• LogP: 2.59180
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 228.03851198
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

98%min ^*data from raw suppliers

4,4,5,5,6,6,6-Heptafluorohexan-1-ol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,4,5,5,6,6,6-Heptafluorohexan-1-ol

There total 3 articles about 4,4,5,5,6,6,6-Heptafluorohexan-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: 91.0%

4,4,5,5,6,6,6-heptafluorohexyl acetate (25600-64-0) → 4,4,5,5,6,6,6,-heptafluorohexan-1-ol (679-02-7)

Guidance literature:

With sodium hydroxide; for 3h; Heating;

Reference yield:

4,4,5,5,6,6,6-heptafluoro-2-iodohexyl acetate (3108-05-2) → 4,4,5,5,6,6,6,-heptafluorohexan-1-ol (679-02-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / azoisobutyronitrile (AIBN), Bu₃SnH / 55 - 65 °C

2: 91 percent / aq NaOH / 3 h / Heating

With sodium hydroxide; 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride;

Reference yield:

→ 4,4,5,5,6,6,6,-heptafluorohexan-1-ol (679-02-7)

Guidance literature:

LiAlH4, 2-Iod-4,4,5,5,6,6,6-heptafluor-hexan-1-ol, Ae., zuletzt Erwaermen;

DOI:10.1021/je60021a038

upstream raw materials:

4,4,5,5,6,6,6-heptafluorohexyl acetate

4,4,5,5,6,6,6-heptafluoro-2-iodohexyl acetate

Downstream raw materials:

4,4,5,5,6,6,6-heptafluorohexanoic acid

(4R)-3-(4,4,5,5,6,6,6-heptafluoro-1-oxohexyl)-4-(phenylmethyl)-2-oxazolidinone

(4R)-3-<(2S)-2-azido-4,4,5,5,6,6,6-heptafluoro-1-oxohexyl>-4-(phenylmethyl)-2-oxazolidinone

Refernces