1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-[3-(ethyloxy)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Base Information

Chemical Name:1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-[3-(ethyloxy)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
CAS No.:1165946-46-2
Molecular Formula:C₃₀H₃₆ClN₃O₇
Molecular Weight:586.085
Hs Code.:

1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-[3-(ethyloxy)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Synonyms:1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-[3-(ethyloxy)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

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Chemical Property of 1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-[3-(ethyloxy)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

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Technology Process of 1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-[3-(ethyloxy)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

There total 14 articles about 1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-[3-(ethyloxy)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate 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: 54.0%

: 1165946-45-1
1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-[(1E)-3-(ethyloxy)-3-oxo-1-propen-1-yl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

: 1165946-46-2
1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-[3-(ethyloxy)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In ethanol; for 0.75h; under 760.051 Torr;
DOI:10.1021/jm5010336

Reference yield:

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

: 1165946-46-2
1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-[3-(ethyloxy)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 5.5 h / 20 - 100 °C

2: Dess-Martin periodane / dichloromethane / 1 h / 20 °C / Inert atmosphere

3: tetrahydrofuran / 1 h / 40 °C / Inert atmosphere

4: palladium 10% on activated carbon; hydrogen / ethanol / 0.75 h / 760.05 Torr

With palladium 10% on activated carbon; hydrogen; benzotriazol-1-ol; Dess-Martin periodane; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm5010336

Reference yield:

: 3964-57-6
methyl 4-hydroxy-3-chlorobenzoate

: 1165946-46-2
1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-[3-(ethyloxy)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Guidance literature:: Multi-step reaction with 5 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 70 °C

1.2: 2 h / 60 °C

2.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 5.5 h / 20 - 100 °C

3.1: Dess-Martin periodane / dichloromethane / 1 h / 20 °C / Inert atmosphere

4.1: tetrahydrofuran / 1 h / 40 °C / Inert atmosphere

5.1: palladium 10% on activated carbon; hydrogen / ethanol / 0.75 h / 760.05 Torr

With palladium 10% on activated carbon; hydrogen; potassium carbonate; benzotriazol-1-ol; Dess-Martin periodane; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm5010336