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

Base Information

• Chemical Name: 6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-4H-3,1-benzoxathiine
• CAS No.: 84649-62-7
• Molecular Formula: C16H18 F6 O S
• Molecular Weight: 372.3689
• Mol file: 84649-62-7.mol

Synonyms:NSC 370166

Chemical Property of 6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-4H-3,1-benzoxathiine

Chemical Property:

• Vapor Pressure: 0.000987mmHg at 25°C
• Boiling Point: 312.2°Cat760mmHg
• Flash Point: 142.6°C
• Density: 1.256g/cm³

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-4H-3,1-benzoxathiine

There total 2 articles about 6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-4H-3,1-benzoxathiine 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:

2-(2-Amino-5-tert-butyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol (84649-61-6) + acetone (67-64-1) → 6-tert-Butyl-2,2-dimethyl-4,4-bis-trifluoromethyl-4H-3-oxa-1-thia-naphthalene (84649-62-7)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1021/ja00343a055

Reference yield:

2-(2-Amino-5-tert-butyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol (84649-61-6) + acetone (67-64-1) → 6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-4H-3,1-benzoxathiin (84649-62-7)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1021/ja00297a029

Reference yield: 77.0%

6-tert-Butyl-2,2-dimethyl-4,4-bis-trifluoromethyl-4H-3-oxa-1-thia-naphthalene (84649-62-7) + Hexafluoroacetone (684-16-2) → 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)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; oxonium;

DOI:10.1021/ja00343a055

upstream raw materials:

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

acetone

Downstream raw materials:

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

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

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

Refernces