1,1,1-Trifluoro-3-methylbutan-2-ol

Base Information

• Chemical Name: 1,1,1-Trifluoro-3-methylbutan-2-ol
• CAS No.: 382-02-5
• Molecular Formula: C5H9F3O
• Molecular Weight: 142.12000
• Hs Code.: 2905590090
• European Community (EC) Number: 803-731-0
• DSSTox Substance ID: DTXSID20464640
• Nikkaji Number: J1.737.301C
• Mol file: 382-02-5.mol

Synonyms:1,1,1-trifluoro-3-methylbutan-2-ol;382-02-5;3-Methyl-1,1,1-trifluorobutan-2-ol;MFCD00462511;1,1,1-Trifluoro-3-methyl-2-butanol;SCHEMBL752269;DTXSID20464640;FPIWJHHQCNHQIC-UHFFFAOYSA-N;AKOS005258887;MS-20203;CS-0215998;1,1,1-Trifluoro-3-methyl-2-butanol, 95%;EN300-317874;F83076

Chemical Property of 1,1,1-Trifluoro-3-methylbutan-2-ol

Chemical Property:

• Refractive Index: n20/D1.354
• Boiling Point: 98-104°C
• Flash Point: 23℃
• PSA: 20.23000
• Density: 1.149 g/mL at 25 °C
• LogP: 1.56560
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 142.06054939
• Heavy Atom Count: 9
• Complexity: 86.7

Purity/Quality:

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

1,1,1-Trifluoro-3-methylbutan-2-ol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(F)(F)F)O

Technology Process of 1,1,1-Trifluoro-3-methylbutan-2-ol

There total 6 articles about 1,1,1-Trifluoro-3-methylbutan-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: 59.0%

ethyl trifluoroacetate, (383-63-1) + isopropylmagnesium bromide (920-39-8) → 3-methyl-1,1,1-trifluorobutan-2-ol (382-02-5)

Guidance literature:

In diethyl ether;

DOI:10.1016/S0022-1139(00)82289-7

Reference yield: 48.0%

iodotrifluoromethane (2314-97-8,263005-66-9) + isobutyraldehyde (78-84-2) → 3-methyl-1,1,1-trifluorobutan-2-ol (382-02-5)

Guidance literature:

With Tetrakis(dimethylamino)ethylen; In N,N-dimethyl-formamide; at -20 - 20 ℃; for 8.16667h; Irradiation;

DOI:10.1021/ol016933x

Reference yield: 23.0%

(trifluoromethyl)trimethylsilane (81290-20-2) + isobutyraldehyde (78-84-2) → 3-methyl-1,1,1-trifluorobutan-2-ol (382-02-5)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 10 - 20 ℃; for 4h; Inert atmosphere;

upstream raw materials:

isopropylmagnesium bromide

trifluoroacetic acid

trifluoroacetic acid-methyl ester

ethyl trifluoroacetate,