5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-3-yn-2-ol

Base Information

Chemical Name:5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-3-yn-2-ol
CAS No.:82721-68-4
Molecular Formula:C9H7F9O
Molecular Weight:302.14
Hs Code.:
DSSTox Substance ID:DTXSID30535037
Wikidata:Q82409120

Synonyms:5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-3-yn-2-ol;82721-68-4;SCHEMBL17978471;DTXSID30535037;WITWPGGAZCIZSI-UHFFFAOYSA-N;NS00109876

Suppliers and Price of 5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-3-yn-2-ol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-3-yn-2-ol

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:302.03531830
Heavy Atom Count:19
Complexity:406

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C#CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O

Technology Process of 5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-3-yn-2-ol

There total 1 articles about 5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-3-yn-2-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:

: 423-39-2
1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

: 115-19-5
2-methyl-but-3-yn-2-ol

: 375-17-7
nonafluorobutane

: 307-34-6
Perfluorooctane

: 59665-30-4
3,3,4,4,5,5,6,6,6-nonafluorohex-1-yne

: 82721-68-4
5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-3-yn-2-ol

Guidance literature:: With sodium hydroxide; 2,2'-azobis(isobutyronitrile); In dichloromethane; at 0 - 20 ℃; for 3h; Further Variations:; Solvents; Temperatures; reaction time; Product distribution;

Reference yield: 55.0%

: 82721-68-4
5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-3-yn-2-ol

: 159087-45-3
4,4,5,5-tetramethyl-2-phenylethynyl-[1,3,2]dioxaborolane

: 5,5-dimethyl-3-(perfluorobutyl)-4-(phenylethynyl)-1,2-oxaborol-2(5H)-ol

Guidance literature:: 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-3-yn-2-ol; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 0.5h; Schlenk technique; Inert atmosphere;

4,4,5,5-tetramethyl-2-phenylethynyl-[1,3,2]dioxaborolane; In tetrahydrofuran; hexane; at 90 ℃; for 16h; stereoselective reaction; Schlenk technique; Inert atmosphere; Sealed tube;
DOI:10.1021/jacs.7b06212

Reference yield:

: 82721-68-4
5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-3-yn-2-ol

: 1-(4-nitrophenyl)-4-(perfluorobutyl)-1H-1,2,3-triazole

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / water / 2 h / Reflux

2: sodium L-ascorbate; copper(ll) sulfate pentahydrate / tert-butyl alcohol; water / 0.17 h / 120 °C / Microwave irradiation

With copper(ll) sulfate pentahydrate; sodium L-ascorbate; sodium hydroxide; In water; tert-butyl alcohol;
DOI:10.1021/acsmedchemlett.9b00681