N-{1-[2-(dimethylamino)-2-oxo-1-phenylethyl]azepan-4-yl}-N-[4-fluoro-3-(trifluoromethyl)benzyl]-1-methyl-1H-imidazole-4-carboxamide

Base Information

Chemical Name:N-{1-[2-(dimethylamino)-2-oxo-1-phenylethyl]azepan-4-yl}-N-[4-fluoro-3-(trifluoromethyl)benzyl]-1-methyl-1H-imidazole-4-carboxamide
CAS No.:1031291-58-3
Molecular Formula:C₂₉H₃₃F₄N₅O₂
Molecular Weight:559.607
Hs Code.:

Synonyms:N-{1-[2-(dimethylamino)-2-oxo-1-phenylethyl]azepan-4-yl}-N-[4-fluoro-3-(trifluoromethyl)benzyl]-1-methyl-1H-imidazole-4-carboxamide

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Chemical Property of N-{1-[2-(dimethylamino)-2-oxo-1-phenylethyl]azepan-4-yl}-N-[4-fluoro-3-(trifluoromethyl)benzyl]-1-methyl-1H-imidazole-4-carboxamide

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Technology Process of N-{1-[2-(dimethylamino)-2-oxo-1-phenylethyl]azepan-4-yl}-N-[4-fluoro-3-(trifluoromethyl)benzyl]-1-methyl-1H-imidazole-4-carboxamide

There total 4 articles about N-{1-[2-(dimethylamino)-2-oxo-1-phenylethyl]azepan-4-yl}-N-[4-fluoro-3-(trifluoromethyl)benzyl]-1-methyl-1H-imidazole-4-carboxamide 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: 90.0%

: 912468-80-5
1-methyl-1H-imidazole-4-carbonyl chloride hydrochloride

: 2-(4-{[4-fluoro-3-(trifluoromethyl)benzyl]amino}azepan-1-yl)-N,N-dimethyl-2-phenylacetamide

: 1031291-58-3
N-{1-[2-(dimethylamino)-2-oxo-1-phenylethyl]azepan-4-yl}-N-[4-fluoro-3-(trifluoromethyl)benzyl]-1-methyl-1H-imidazole-4-carboxamide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 0 - 20 ℃; for 2h; Inert atmosphere;
DOI:10.1021/acs.orglett.1c01117

Reference yield:

: 2-[di(but-3-en-1-yl)amino]-N,N-dimethyl-2-phenylacetamide

: 1031291-58-3
N-{1-[2-(dimethylamino)-2-oxo-1-phenylethyl]azepan-4-yl}-N-[4-fluoro-3-(trifluoromethyl)benzyl]-1-methyl-1H-imidazole-4-carboxamide

Guidance literature:: Multi-step reaction with 4 steps

1.1: tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride / toluene / 2 h / Reflux; Inert atmosphere

2.1: dimethylsulfide borane complex / tetrahydrofuran / 2 h / 50 °C / Inert atmosphere

2.2: 0.5 h / 20 °C / Inert atmosphere

3.1: triethylamine; methanesulfonyl chloride / dimethyl sulfoxide / 1.5 h / 20 °C / Inert atmosphere

3.2: 15 h / 20 °C / Inert atmosphere

4.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 2 h / 0 - 20 °C / Inert atmosphere

With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; dimethylsulfide borane complex; methanesulfonyl chloride; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dimethyl sulfoxide; toluene; acetonitrile;
DOI:10.1021/acs.orglett.1c01117

Reference yield:

: N,N-dimethyl-2-phenyl-2-(2,3,6,7-tetrahydro-1H-azepin-1-yl)acetamide

: 1031291-58-3
N-{1-[2-(dimethylamino)-2-oxo-1-phenylethyl]azepan-4-yl}-N-[4-fluoro-3-(trifluoromethyl)benzyl]-1-methyl-1H-imidazole-4-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: dimethylsulfide borane complex / tetrahydrofuran / 2 h / 50 °C / Inert atmosphere

1.2: 0.5 h / 20 °C / Inert atmosphere

2.1: triethylamine; methanesulfonyl chloride / dimethyl sulfoxide / 1.5 h / 20 °C / Inert atmosphere

2.2: 15 h / 20 °C / Inert atmosphere

3.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 2 h / 0 - 20 °C / Inert atmosphere

With dimethylsulfide borane complex; methanesulfonyl chloride; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dimethyl sulfoxide; acetonitrile;
DOI:10.1021/acs.orglett.1c01117