Perfluoro-tert-butanol

Base Information

• Chemical Name: Perfluoro-tert-butanol
• CAS No.: 2378-02-1
• Molecular Formula: C4H F9 O
• Molecular Weight: 236.037
• Hs Code.: 29062990
• European Community (EC) Number: 219-157-3
• DSSTox Substance ID: DTXSID5073292
• Nikkaji Number: J213.238I
• Wikipedia: Nonafluoro-tert-butyl_alcohol
• Wikidata: Q55625370
• Mol file: 2378-02-1.mol

Synonyms:perfluoro-tert-butyl alcohol

Chemical Property of Perfluoro-tert-butanol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 5.19 psi ( 20 °C)
• Melting Point: -17°C
• Refractive Index: n20/D 1.3(lit.)
• Boiling Point: 45 °C(lit.)
• PKA: 7.05±0.53(Predicted)
• Flash Point: 5.1°C
• PSA: 20.23000
• Density: 1.67g/cm³
• LogP: 2.40440
• Storage Temp.: Keep Cold
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 235.98836811
• Heavy Atom Count: 14
• Complexity: 170

Purity/Quality:

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

Nonafluoro-tert-butyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi,T
• Hazard Codes: Xn,Xi,T
• Statements: 20-36/37/38-23
• Safety Statements: 26-45-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O
• Uses: Nonafluoro-tert-butyl Alcohol is used in production of SO2-based electrolytes for rechargeable battery cells with improved stability, improved performance, low production cost.

Technology Process of Perfluoro-tert-butanol

There total 25 articles about Perfluoro-tert-butanol 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: 93.0%

bismuth (7440-69-9) + tris-(trifluoromethyl)methyl hypochlorite (27579-40-4) → Bi(3+)*3(CF3)3CO(1-) = Bi{(CF3)3CO}3 (88392-03-4) + 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol (2378-02-1)

Guidance literature:

byproducts: (CF3)2CO, CF3Cl, Cl2; reaction mixt. maintained at 0°C for 40 h and at room temp. for 94 h and between 25 and 30°C for 6 h; addn. of additional (CF3)3COCl; volatiles removed at room temp. under vac.; elem. anal.;

Reference yield: 91.3%

(trifluoromethyl)trimethylsilane (81290-20-2) + Hexafluoroacetone (684-16-2) → 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol (2378-02-1)

Guidance literature:

With potassium fluoride; In acetonitrile; Mechanism; a) 9 h, -40 deg C, b) 3 h, 18 deg C; other carbonyl compounds, variation of conditions: xfluorinated tertiary alcohols and alkoxides from nucleophilic trifluoromethylation of carbonyl compounds;

DOI:10.1021/jo00030a018

Reference yield: 87.0%

(trifluoromethyl)trimethylsilane (81290-20-2) + trifluoroacetic anhydride (407-25-0) → 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol (2378-02-1)

Guidance literature:

With tetramethylammonium fluoride; In 1,2-dimethoxyethane; at -30 - 20 ℃;

DOI:10.1016/j.tet.2004.12.023

upstream raw materials:

1,1,1-trichloro-3,3,3-trifluoro-2-(trifluoromethyl)propan-2-ol

Carbonyl fluoride

(trifluoromethyl)trimethylsilane

nanofluoro-tert-butylamine

Downstream raw materials:

F-tert.-Butyltrifluoracetat

bis(nonafluoro-tert-butyl) peroxide

trifluoromethan

1,1,2,2,3,3-Hexafluoro-cyclopropane

Refernces

• 1、 Dyatkin et al.. "". . p. 2991,2993. Retrieved 1965.
• 2、 Bauer, Matthias,Cronin, Steve P.,Dyballa, Michael,Estes, Deven P.,Li, Zheng,Maier, Sarah,Nowakowski, Michal,Vu Dinh, Manh-Anh. "Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations". . p. 1751 - 1757. Retrieved 2021/06/28.
• 3、 Kraft, Anne,Possart, Josephine,Scherer, Harald,Beck, Jennifer,Himmel, Daniel,Krossing, Ingo. "The Al(ORF)3/H2O/phosphane [RF = C(CF3)3] System - Protonation of phosphanes and absolute bronsted acidity". . p. 3054 - 3062. Retrieved 2013/07/27.