1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-(hydroxymethyl)-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-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
CAS No.:1165946-42-8
Molecular Formula:C₂₆H₃₀ClN₃O₆
Molecular Weight:515.994
Hs Code.:

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

There total 10 articles about 1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-(hydroxymethyl)-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: 28.0%

: 1165946-41-7
1,1-dimethylethyl 7-[(hydroxyamino)(imino)methyl]-3-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

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

: 1165946-42-8
1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Guidance literature:: With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 - 100 ℃; for 5.5h;
DOI:10.1021/jm5010336

Reference yield:

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

: 1165946-42-8
1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Guidance literature:: Multi-step reaction with 2 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

With potassium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide;
DOI:10.1021/jm5010336

Reference yield:

: 1165946-38-2
(7-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanol

: 1165946-42-8
1,1-dimethylethyl 7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: sodium hydrogencarbonate / tetrahydrofuran / 2 h / 20 °C

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 3 h / 80 °C / Inert atmosphere

3: sodium hydrogencarbonate; hydroxylamine hydrochloride / ethanol / 15 h / 50 °C

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

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydroxylamine hydrochloride; sodium hydrogencarbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm5010336