4-[9-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butanoic acid

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Chemical Name:4-[9-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butanoic acid
CAS No.:1167415-76-0
Molecular Formula:C₂₄H₂₆ClN₃O₅
Molecular Weight:471.941
Hs Code.:

Synonyms:4-[9-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butanoic acid

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Chemical Property of 4-[9-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butanoic acid

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Technology Process of 4-[9-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butanoic acid

There total 13 articles about 4-[9-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butanoic acid 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: 79.0%

: 1167416-54-7
ethyl 4-[9-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butanoate

: 1167415-76-0
4-[9-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butanoic acid

Guidance literature:: ethyl 4-[9-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butanoate; With sodium hydroxide; In ethanol; water; at 20 ℃; for 16h;

With acetic acid; In water; for 1.5h; Cooling with ice;
DOI:10.1021/jm5010336

Reference yield:

: 213598-07-3
3-chloro-4-isopropoxy-benzoic acid

: 1167415-76-0
4-[9-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butanoic acid

Guidance literature:: Multi-step reaction with 5 steps

1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 16 h / 20 °C

2.1: triethylamine / N,N-dimethyl-formamide / 4 h / 20 - 120 °C / Inert atmosphere; Cooling with ice

3.1: hydrogenchloride / 1,4-dioxane; dichloromethane / 16 h / 20 °C

4.1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 2 h / 80 °C / Inert atmosphere

5.1: sodium hydroxide / ethanol; water / 16 h / 20 °C

5.2: 1.5 h / Cooling with ice

With hydrogenchloride; oxalyl dichloride; potassium carbonate; triethylamine; N,N-dimethyl-formamide; potassium iodide; sodium hydroxide; In 1,4-dioxane; ethanol; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jm5010336

Reference yield:

: 213767-19-2
3-chloro-4-[(1-methylethyl)oxy]benzoyl chloride

: 1167415-76-0
4-[9-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: triethylamine / N,N-dimethyl-formamide / 4 h / 20 - 120 °C / Inert atmosphere; Cooling with ice

2.1: hydrogenchloride / 1,4-dioxane; dichloromethane / 16 h / 20 °C

3.1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 2 h / 80 °C / Inert atmosphere

4.1: sodium hydroxide / ethanol; water / 16 h / 20 °C

4.2: 1.5 h / Cooling with ice

With hydrogenchloride; potassium carbonate; triethylamine; potassium iodide; sodium hydroxide; In 1,4-dioxane; ethanol; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jm5010336