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

Base Information

Chemical Name:4-(pyrimidin-2-ylmethyl)-7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one
CAS No.:1448754-38-8
Molecular Formula:C₂₁H₁₆F₃N₃O₂
Molecular Weight:399.372
Hs Code.:

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

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

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

There total 5 articles about 4-(pyrimidin-2-ylmethyl)-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: 87.0%

: 7-bromo-4-(pyrimidin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

: 128796-39-4
4-trifluoromethylphenylboronic acid

: 1448754-38-8
4-(pyrimidin-2-ylmethyl)-7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

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:

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

: 54198-88-8
2-chloromethylpyrimidine

: 1448754-38-8
4-(pyrimidin-2-ylmethyl)-7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

Guidance literature:: 7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one; 2-chloromethylpyrimidine; With water; sodium hydroxide; In N,N-dimethyl-formamide; at 95 ℃; for 2h;

With hydrogenchloride; water; In 1,4-dioxane; at 20 ℃; for 4h;
DOI:10.1021/acs.jmedchem.6b00939

Reference yield:

: 49660-57-3
6-bromochroman-4-one

: 1448754-38-8
4-(pyrimidin-2-ylmethyl)-7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium azide; methanesulfonic acid / 16 h / 0 - 20 °C / Cooling with ice

2.1: sodium hydroxide / N,N-dimethyl-formamide; water / 2 h / 95 °C

2.2: 4 h / 20 °C

3.1: potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / water; toluene; isopropyl alcohol / 3 h / 85 °C / Inert atmosphere

With sodium azide; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; methanesulfonic acid; potassium carbonate; sodium hydroxide; In water; N,N-dimethyl-formamide; isopropyl alcohol; toluene; 1.1: |Beckmann Rearrangement / 3.1: |Suzuki-Miyaura Coupling;
DOI:10.1021/acs.jmedchem.6b00939