2-(2'-((1,4-oxazepan-4-yl)methyl)-4'-hydroxybiphenyl-3-yloxy)-5-fluoro-N-((1s,4s)-4-(2-hydroxy-5-methylbenzamido)cyclohexyl)nicotinamide trifluoroacetic acid salt

Base Information

Chemical Name:2-(2'-((1,4-oxazepan-4-yl)methyl)-4'-hydroxybiphenyl-3-yloxy)-5-fluoro-N-((1s,4s)-4-(2-hydroxy-5-methylbenzamido)cyclohexyl)nicotinamide trifluoroacetic acid salt
CAS No.:1610736-86-1
Molecular Formula:C₂HF₃O₂*C₃₈H₄₁FN₄O₆
Molecular Weight:782.789
Hs Code.:

2-(2'-((1,4-oxazepan-4-yl)methyl)-4'-hydroxybiphenyl-3-yloxy)-5-fluoro-N-((1s,4s)-4-(2-hydroxy-5-methylbenzamido)cyclohexyl)nicotinamide trifluoroacetic acid salt

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Chemical Property of 2-(2'-((1,4-oxazepan-4-yl)methyl)-4'-hydroxybiphenyl-3-yloxy)-5-fluoro-N-((1s,4s)-4-(2-hydroxy-5-methylbenzamido)cyclohexyl)nicotinamide trifluoroacetic acid salt

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Technology Process of 2-(2'-((1,4-oxazepan-4-yl)methyl)-4'-hydroxybiphenyl-3-yloxy)-5-fluoro-N-((1s,4s)-4-(2-hydroxy-5-methylbenzamido)cyclohexyl)nicotinamide trifluoroacetic acid salt

There total 8 articles about 2-(2'-((1,4-oxazepan-4-yl)methyl)-4'-hydroxybiphenyl-3-yloxy)-5-fluoro-N-((1s,4s)-4-(2-hydroxy-5-methylbenzamido)cyclohexyl)nicotinamide trifluoroacetic acid salt 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: 9.0%

: 89-56-5
5-Methylsalicylic acid

: 1197291-07-8
2-(2'-((1,4-oxazepan-4-yl)methyl)-4'-hydroxybiphenyl-3-yloxy)-N-((1s,4s)-4-aminocyclohexyl)-5-fluoronicotinamide

: 76-05-1
trifluoroacetic acid

: 1610736-86-1
2-(2'-((1,4-oxazepan-4-yl)methyl)-4'-hydroxybiphenyl-3-yloxy)-5-fluoro-N-((1s,4s)-4-(2-hydroxy-5-methylbenzamido)cyclohexyl)nicotinamide trifluoroacetic acid salt

Guidance literature:: 5-Methylsalicylic acid; With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In acetonitrile; for 0.166667h; Inert atmosphere;

2-(2'-((1,4-oxazepan-4-yl)methyl)-4'-hydroxybiphenyl-3-yloxy)-N-((1s,4s)-4-aminocyclohexyl)-5-fluoronicotinamide; In acetonitrile; at 18 - 25 ℃; Inert atmosphere;

trifluoroacetic acid; In acetonitrile;
DOI:10.1021/jm5001216

Reference yield:

: 1197291-03-4
tert-butyl (1s,4s)-4-(5-fluoro-2-(2'-formyl-4'-hydroxybiphenyl-3-yloxy)nicotinamido)cyclohexylcarbamate

: 1610736-86-1
2-(2'-((1,4-oxazepan-4-yl)methyl)-4'-hydroxybiphenyl-3-yloxy)-5-fluoro-N-((1s,4s)-4-(2-hydroxy-5-methylbenzamido)cyclohexyl)nicotinamide trifluoroacetic acid salt

Guidance literature:: Multi-step reaction with 3 steps

1.1: acetic acid; sodium sulfate / dichloromethane / 1 h / 18 - 25 °C / Inert atmosphere

1.2: 1.5 h / Inert atmosphere

2.1: trifluoroacetic acid / dichloromethane / 3 h / 0 - 25 °C

3.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / acetonitrile / 0.17 h / Inert atmosphere

3.2: 18 - 25 °C / Inert atmosphere

With acetic acid; sodium sulfate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; acetonitrile;
DOI:10.1021/jm5001216

Reference yield:

: 1197291-06-7
tert-butyl (1s,4s)-4-(2-(2'-((1,4-oxazepan-4-yl)methyl)-4'-hydroxybiphenyl-3-yloxy)-5-fluoronicotinamido)cyclohexylcarbamate

: 1610736-86-1
2-(2'-((1,4-oxazepan-4-yl)methyl)-4'-hydroxybiphenyl-3-yloxy)-5-fluoro-N-((1s,4s)-4-(2-hydroxy-5-methylbenzamido)cyclohexyl)nicotinamide trifluoroacetic acid salt

Guidance literature:: Multi-step reaction with 2 steps

1.1: trifluoroacetic acid / dichloromethane / 3 h / 0 - 25 °C

2.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / acetonitrile / 0.17 h / Inert atmosphere

2.2: 18 - 25 °C / Inert atmosphere

With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; acetonitrile;
DOI:10.1021/jm5001216