(R)-4,4,4-Trifluoro-3-methyl-1-butanol

Base Information

• Chemical Name: (R)-4,4,4-Trifluoro-3-methyl-1-butanol
• CAS No.: 85571-88-6
• Molecular Formula: C₅H₉F₃O
• Molecular Weight: 142.121
• DSSTox Substance ID: DTXSID201034541
• Nikkaji Number: J2.564.280E
• Mol file: 85571-88-6.mol

Synonyms:(R)-4,4,4-Trifluoro-3-methyl-1-butanol;SCHEMBL17238898;DTXSID201034541;(R)-4,4,4-trifluoro-3-methylbutan-1-ol;(3R)-4,4,4-trifluoro-3-methylbutan-1-ol;85571-88-6

Chemical Property of (R)-4,4,4-Trifluoro-3-methyl-1-butanol

Chemical Property:

• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCO)C(F)(F)F
• Isomeric SMILES: C[C@H](CCO)C(F)(F)F

Technology Process of (R)-4,4,4-Trifluoro-3-methyl-1-butanol

There total 1 articles about (R)-4,4,4-Trifluoro-3-methyl-1-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: 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: 77.0%

(R)-(+)-4,4,4-Trifluor-3-methyl-1-butanol (85571-88-6) + p-toluenesulfonyl chloride (98-59-9) → (R)-(+)-4,4,4-Trifluor-3-methylbutyl-(p-toluolsulfonat) (95853-72-8)

Guidance literature:

With pyridine; for 4h; Ambient temperature;

Reference yield:

(R)-(+)-4,4,4-Trifluor-3-methyl-1-butanol (85571-88-6) → (2R,4R)-2-<(4S,5S)-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)amino>-5,5,5-trifluor-4-methylvaleronitril (95911-01-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / PCC / CH₂Cl₂ / 1.5 h / Ambient temperature

2: ethane-1,2-diol / 0.25 h / Heating

With pyridinium chlorochromate; In dichloromethane; ethylene glycol;

upstream raw materials:

(E)-4,4,4-trifluoro-3-methylbut-2-en-1-ol

Downstream raw materials:

(R)-(+)-4,4,4-Trifluor-3-methylbutyl-(p-toluolsulfonat)

(2S,4R)-(+)-5,5,5-Trifluor-2-<(1S,2S)-(2-hydroxy-1-hydroxymethyl-2-phenylethyl)amino>-4-methylvaleriansaeure

(2R,4R)-2-<(4S,5S)-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)amino>-5,5,5-trifluor-4-methylvaleronitril

(2S,4R)-(+)-2-<(4S,5S)-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)amino>-5,5,5-trifluor-4-methylvaleronitril