7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

Base Information

• Chemical Name: 7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one
• CAS No.: 1417315-52-6
• Molecular Formula: C₁₆H₁₂F₃NO₂
• Molecular Weight: 307.272
• Mol file: 1417315-52-6.mol

Synonyms:7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

Chemical Property of 7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

There total 3 articles about 7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one 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:

7-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (5755-05-5) + 4-trifluoromethoxyphenylboronic acid (139301-27-2) → 7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (1417315-52-6)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; palladium; In water; N,N-dimethyl-formamide; at 80 ℃;

Reference yield:

4-trifluoromethylphenylboronic acid (128796-39-4) + 7-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (5755-05-5) → 7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (1417315-52-6)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium carbonate; In water; isopropyl alcohol; toluene; at 85 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.6b00939

Reference yield:

6-bromochroman-4-one (49660-57-3) → 7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (1417315-52-6)

Guidance literature:

Multi-step reaction with 2 steps

1: methanesulfonic acid; sodium azide / 16.75 h / 20 °C / Cooling with ice

2: palladium; sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide; water / 80 °C

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium azide; methanesulfonic acid; sodium carbonate; palladium; In water; N,N-dimethyl-formamide; 2: |Suzuki Coupling;

upstream raw materials:

7-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

4-trifluoromethoxyphenylboronic acid

6-bromochroman-4-one

4-trifluoromethylphenylboronic acid

Downstream raw materials:

4-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one hydrochloride salt

4-(pyrimidin-2-ylmethyl)-7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

5-chloro-7-(4-(trifluoromethyl)phenyl)-2,3-dihydrobenzo[f][1,4]oxazepine