1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-ol

Base Information

• Chemical Name: 1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-ol
• CAS No.: 1515-14-6
• Molecular Formula: C4H4F6O
• Molecular Weight: 182.066
• Hs Code.: 29055900
• European Community (EC) Number: 216-155-4
• DSSTox Substance ID: DTXSID40883576
• Nikkaji Number: J206.719F
• Wikidata: Q72481732
• Mol file: 1515-14-6.mol

Synonyms:1515-14-6;Hexafluoro-2-methylisopropanol;1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol;2-Propanol, 1,1,1,3,3,3-hexafluoro-2-methyl-;Hexafluoro-tert-butanol;EINECS 216-155-4;Hexafluoro-2-methylpropan-2-ol;(CF3)2MeCOH;1,1,1,3,3,3-Hexafluoro-2-methylisopropanol;1,1,1,3,3,3-hexafluoro-2-methyl-propan-2-ol;SCHEMBL86346;methylbistrifluoromethylmethanol;(CF3)2C(OH)CH3;hexafluoro-2-methyl-2-propanol;FQDXJYBXPOMIBX-UHFFFAOYSA-;DTXSID40883576;MFCD00039259;AKOS005063443;MS-20823;FT-0626981;H1349;D91028;A809186;J-008816;1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol, 97%

Chemical Property of 1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-ol

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 29.5mmHg at 25°C
• Refractive Index: n20/D 1.3(lit.)
• Boiling Point: 93.5 °C at 760 mmHg
• PKA: 9.82±0.29(Predicted)
• Flash Point: 10.3 °C
• PSA: 20.23000
• Density: 1.457 g/cm³
• LogP: 1.86200
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Soluble), Methanol (Soluble)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 182.01663372
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

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

1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi, F
• Hazard Codes: Xn,Xi,F
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(F)(F)F)(C(F)(F)F)O
• Uses: 1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol is used as a solvent. It is used in the preparation of volatile sodium yttrium and zirconium fluoroalkoxides. It is also used in the synthesis of precursors to per- and polyfluoroethers.

Technology Process of 1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-ol

There total 15 articles about 1,1,1,3,3,3-Hexafluoro-2-methylpropan-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: 70.9%

1,1,1-trifluoro-2-propanone (421-50-1) + (trifluoromethyl)trimethylsilane (81290-20-2) → 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol (1515-14-6)

Guidance literature:

1,1,1-trifluoro-2-propanone; (trifluoromethyl)trimethylsilane; With cesium fluoride; In 1,2-dimethoxyethane; at -15 - 15 ℃; for 18h; under 760.051 Torr; Autoclave; Inert atmosphere;

With hydrogenchloride; In water; at 17 - 20 ℃; for 2h; Temperature;

Reference yield:

C6H18N3OP*C4H4F6O → N,N,N,N,N,N-hexamethylphosphoric triamide (680-31-9) + 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol (1515-14-6)

Guidance literature:

In octanol; at 24.84 ℃; Equilibrium constant;

DOI:10.1021/jo1014646

Reference yield:

C4H4F6O*C6H15O4P → triethyl phosphate (78-40-0) + 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol (1515-14-6)

Guidance literature:

In octanol; at 24.84 ℃; Equilibrium constant;

DOI:10.1021/jo1014646

upstream raw materials:

methylmagnesium bromide

Hexafluoroacetone

methylene chloride

methylmagnesium chloride

Downstream raw materials:

Trifluoro-acetic acid 2,2,2-trifluoro-1-methyl-1-trifluoromethyl-ethyl ester

2',2',2'-trifluoro-1'-methyl-1'-(trifluoromethyl)ethyl 2,3,4,6-tetra-O-benzyl-β-D-glucopyranoside

2',2',2'-trifluoro-1'-methyl-1'-(trifluoromethyl)ethyl 2,3,4,6-tetra-O-benzyl-α-D-glucopyranoside

N-(2,3,4,6-tetra-O-benzyl-α-D-glucopyranosyl)-O-<2',2',2'-trifluoro-1'-methyl-1'-(trifluoromethyl)ethyl>-propanimidate

Refernces

• 1、 Naganuma, Kenji,Kawashima, Takayuki,Okazaki, Renji. "Control factors of two reaction modes of pentacoordinate 1,2-oxasiletanides, the peterson reaction and homo-brook rearrangement". . p. 1139 - 1140. Retrieved 1999.
• 2、 -. "METHOD FOR PRODUCING 1,1,1,3,3,3-HEXAFLUORO-tert-BUTANOL". Paragraph 0048. . Retrieved 2016/10/07.