4,4,4-Trifluoro-3-methylbutan-1-ol

Base Information

• Chemical Name: 4,4,4-Trifluoro-3-methylbutan-1-ol
• CAS No.: 339-62-8
• Molecular Formula: C5H9F3O
• Molecular Weight: 142.1196
• European Community (EC) Number: 819-537-4
• NSC Number: 120381
• DSSTox Substance ID: DTXSID60298042
• Nikkaji Number: J1.543.453H
• Mol file: 339-62-8.mol

Synonyms:4,4,4-trifluoro-3-methylbutan-1-ol;339-62-8;4,4,4-trifluoro-3-methyl-butan-1-ol;NSC120381;4,4,4-Trifluoro-3-methyl-1-butanol;3-trifluoromethyl-1-butanol;SCHEMBL265205;3-(trifluoromethyl)-1-butanol;DTXSID60298042;BSJJQQUOGDRKTR-UHFFFAOYSA-N;AT22041;NSC-120381;EN300-337055;F1913-0437

Chemical Property of 4,4,4-Trifluoro-3-methylbutan-1-ol

Chemical Property:

• Vapor Pressure: 61.6mmHg at 25°C
• Boiling Point: 78.7°Cat760mmHg
• Flash Point: 43.8°C
• Density: 1.133g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 142.06054939
• Heavy Atom Count: 9
• Complexity: 78.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCO)C(F)(F)F

Technology Process of 4,4,4-Trifluoro-3-methylbutan-1-ol

There total 7 articles about 4,4,4-Trifluoro-3-methylbutan-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: 86.0%

(+/-)-ethyl 4,4,4-trifluoro-3-methylbutanoate (6975-13-9) → (+/-)-4,4,4-Trifluor-3-methyl-1-butanol (339-62-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Heating;

Reference yield: 61.0%

(E)-4,4,4-trifluoro-3-methylbut-2-en-1-ol (59867-95-7) → (R)-4,4,4-Trifluoro-3-methyl-butan-1-ol (339-62-8,85571-88-6,95853-68-2,95910-97-7)

Guidance literature:

With baker's yeast; soluble starch; In water; for 168h; Ambient temperature;

DOI:10.1246/cl.1983.237

Reference yield:

(-)-3-trifluoromethylbutanoic acid (348-75-4,162878-31-1) → (+/-)-4,4,4-Trifluor-3-methyl-1-butanol (339-62-8)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01618a062

upstream raw materials:

(-)-3-trifluoromethylbutanoic acid

(+/-)-ethyl 4,4,4-trifluoro-3-methylbutanoate

2,3-bis(trifluoromethyl)butanoic acid

(E)-3-trifluoromethyl-2-butenoic acid ethyl ester

Downstream raw materials:

(+/-)-4,4,4-Trifluor-3-methyl-1-butanal