2,6-bis<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>-4-tert-butylbenzenethiol

Base Information

• Chemical Name: 2,6-bis<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>-4-tert-butylbenzenethiol
• CAS No.: 96129-83-8
• Molecular Formula: C₁₆H₁₄F₁₂O₂S
• Molecular Weight: 498.333
• Mol file: 96129-83-8.mol

Synonyms:2,6-bis<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>-4-tert-butylbenzenethiol

Chemical Property of 2,6-bis<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>-4-tert-butylbenzenethiol

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2,6-bis<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>-4-tert-butylbenzenethiol

There total 4 articles about 2,6-bis<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>-4-tert-butylbenzenethiol 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: 74.0%

5-tert-butyl-7-<2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl>-3,3-bis(trifluoromethyl)-3H-2,1-benzoxathiole 1-oxide (84649-59-2) → 2,6-bis<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>-4-tert-butylbenzenethiol (96129-83-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 25 ℃; for 12h;

DOI:10.1021/ja00297a029

Reference yield:

2-(2-Amino-5-tert-butyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol (84649-61-6) → 2,6-bis<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>-4-tert-butylbenzenethiol (96129-83-8)

Guidance literature:

Multi-step reaction with 4 steps

2: 1.) TMEDA, n-butyllithium / 1.) hexane, 25 deg C, 6 h; 2.) ether, 25 deg C, 5 h

3: 99 percent / NBS / acetonitrile; H₂O / 20 h / 25 °C

4: 74 percent / LiAlH₄ / diethyl ether / 12 h / 25 °C

With N-Bromosuccinimide; lithium aluminium tetrahydride; n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In diethyl ether; water; acetonitrile;

DOI:10.1021/ja00297a029

Reference yield:

6-tert-butyl-2,2-dimethyl-8-<2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl>-4,4-bis(trifluoromethyl)-4H-3,1-benzoxathiin (84649-63-8) → 2,6-bis<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>-4-tert-butylbenzenethiol (96129-83-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / NBS / acetonitrile; H₂O / 20 h / 25 °C

2: 74 percent / LiAlH₄ / diethyl ether / 12 h / 25 °C

With N-Bromosuccinimide; lithium aluminium tetrahydride; In diethyl ether; water; acetonitrile;

DOI:10.1021/ja00297a029

upstream raw materials:

5-tert-butyl-7-<2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl>-3,3-bis(trifluoromethyl)-3H-2,1-benzoxathiole 1-oxide

2-(2-Amino-5-tert-butyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

6-tert-butyl-2,2-dimethyl-8-<2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl>-4,4-bis(trifluoromethyl)-4H-3,1-benzoxathiin

6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-4H-3,1-benzoxathiin

Downstream raw materials:

2-[5-tert-Butyl-2-methylsulfanyl-3-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol