6-bromo-2-(2-fluoro-6-trifluoromethyl-benzyl)-2H-[1,2,4]triazine-3,5-dione

Base Information

• Chemical Name: 6-bromo-2-(2-fluoro-6-trifluoromethyl-benzyl)-2H-[1,2,4]triazine-3,5-dione
• CAS No.: 867060-68-2
• Molecular Formula: C₁₁H₆BrF₄N₃O₂
• Molecular Weight: 368.085
• Mol file: 867060-68-2.mol

Synonyms:6-bromo-2-(2-fluoro-6-trifluoromethyl-benzyl)-2H-[1,2,4]triazine-3,5-dione

Chemical Property of 6-bromo-2-(2-fluoro-6-trifluoromethyl-benzyl)-2H-[1,2,4]triazine-3,5-dione

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 6-bromo-2-(2-fluoro-6-trifluoromethyl-benzyl)-2H-[1,2,4]triazine-3,5-dione

There total 1 articles about 6-bromo-2-(2-fluoro-6-trifluoromethyl-benzyl)-2H-[1,2,4]triazine-3,5-dione 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: 88.0%

6-bromo-1,2,4-triazine-3,5(2H,4H)-dione (4956-05-2) + 2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene (239087-08-2) → 6-bromo-2-(2-fluoro-6-trifluoromethyl-benzyl)-2H-[1,2,4]triazine-3,5-dione (867060-68-2)

Guidance literature:

6-bromo-1,2,4-triazine-3,5(2H,4H)-dione; With N,O-bis-(trimethylsilyl)-acetamide; In acetonitrile; at 80 ℃; for 3h;

2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene; In acetonitrile; at 80 ℃; for 15h;

DOI:10.1016/j.bmcl.2005.06.057

Reference yield:

6-bromo-2-(2-fluoro-6-trifluoromethyl-benzyl)-2H-[1,2,4]triazine-3,5-dione (867060-68-2) + (R)-N-(tert-butoxycarbonyl)phenylglycinol (67341-01-9,117049-14-6,138457-46-2,102089-74-7) → {2-[6-bromo-2-(2-fluoro-6-trifluoromethyl-benzyl)-3,5-dioxo-2,5-dihydro-3H-[1,2,4]triazin-4-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃; for 11h;

DOI:10.1016/j.bmcl.2005.06.057

Reference yield:

6-bromo-2-(2-fluoro-6-trifluoromethyl-benzyl)-2H-[1,2,4]triazine-3,5-dione (867060-68-2) → 4-(2-amino-2-phenyl-ethyl)-6-(2-chloro-3-methoxy-phenyl)-2-(2-fluoro-6-trifluoromethyl-benzyl)-2H-[1,2,4]triazine-3,5-dione

Guidance literature:

Multi-step reaction with 3 steps

1: PPh₃; DEAD / tetrahydrofuran / 11 h / 20 °C

2: aq. Ba(OH)2; Pd(PPh₃)4 / 1,2-dimethoxy-ethane; benzene; ethanol / 5 h / 90 °C

3: TFA / CH₂Cl₂ / 0.5 h / 20 °C

With barium dihydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triphenylphosphine; trifluoroacetic acid; diethylazodicarboxylate; In tetrahydrofuran; 1,2-dimethoxyethane; ethanol; dichloromethane; benzene; 1: Mitsunobu reaction / 2: Suzuki reaction;

DOI:10.1016/j.bmcl.2005.06.057

upstream raw materials:

6-bromo-1,2,4-triazine-3,5(2H,4H)-dione

2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene