3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic acid

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Chemical Name:3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic acid
CAS No.:1167415-80-6
Molecular Formula:C₂₄H₂₄N₄O₅
Molecular Weight:448.478
Hs Code.:

Synonyms:3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic acid

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Chemical Property of 3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic acid

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Technology Process of 3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic acid

There total 10 articles about 3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic 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: 10.0%

: 1167416-61-6
ethyl 3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate

: 1167415-80-6
3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic acid

Guidance literature:: ethyl 3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate; With sodium hydroxide; In ethanol; water; at 20 ℃; for 2h;

With acetic acid; In water;
DOI:10.1021/jm5010336

Reference yield:

: 1167415-78-2
2-[(1-methylethyl)oxy]-5-[3-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile hydrochloride

: 1167415-80-6
3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / acetonitrile / 30 h / 80 °C / Inert atmosphere

2: sodium hydroxide / ethanol; water / 2 h / 20 °C

With N-ethyl-N,N-diisopropylamine; sodium hydroxide; In ethanol; water; acetonitrile;
DOI:10.1021/jm5010336

Reference yield:

: 740842-71-1
7-bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine

: 1167415-80-6
3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoic acid

Guidance literature:: Multi-step reaction with 7 steps

1: triethylamine / dichloromethane / 4 h / 20 °C

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 21 h / 80 °C / Inert atmosphere

3: sodium hydrogencarbonate; hydroxylamine hydrochloride / ethanol / 16 h / 60 °C

4: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 36 h / 20 - 120 °C

5: hydrogenchloride / 1,4-dioxane / 2 h / 20 °C

6: N-ethyl-N,N-diisopropylamine / acetonitrile / 30 h / 80 °C / Inert atmosphere

7: sodium hydroxide / ethanol; water / 2 h / 20 °C

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydroxylamine hydrochloride; sodium hydrogencarbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In 1,4-dioxane; ethanol; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm5010336