N₁-[(2R,3S)-7-chloro-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-N₂-[(3,5-difluorophenyl)acetyl]-L-alaninamide

Base Information

• Chemical Name: N₁-[(2R,3S)-7-chloro-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-N₂-[(3,5-difluorophenyl)acetyl]-L-alaninamide
• CAS No.: 680229-48-5
• Molecular Formula: C₂₆H₂₂ClF₂N₃O₄
• Molecular Weight: 513.928

Synonyms:N₁-[(2R,3S)-7-chloro-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-N₂-[(3,5-difluorophenyl)acetyl]-L-alaninamide

Chemical Property of N₁-[(2R,3S)-7-chloro-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-N₂-[(3,5-difluorophenyl)acetyl]-L-alaninamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N₁-[(2R,3S)-7-chloro-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-N₂-[(3,5-difluorophenyl)acetyl]-L-alaninamide

There total 8 articles about N₁-[(2R,3S)-7-chloro-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-N₂-[(3,5-difluorophenyl)acetyl]-L-alaninamide 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:

(2,3-cis)-3-amino-7-chloro-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one + N-(3,5-Difluorophenylacetyl)-L-alanine (208124-34-9) → N1-[(2R,3S)-7-chloro-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-N2-[(3,5-difluorophenyl)acetyl]-L-alaninamide (680229-48-5) + N1-[(2S,3R)-7-chloro-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-N2-[(3,5-difluorophenyl)acetyl]-L-alaninamide

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃;

Reference yield:

ethyl 3-phenylglycidate (121-39-1) → N1-[(2R,3S)-7-chloro-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-N2-[(3,5-difluorophenyl)acetyl]-L-alaninamide (680229-48-5) + N1-[(2S,3R)-7-chloro-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-N2-[(3,5-difluorophenyl)acetyl]-L-alaninamide

Guidance literature:

Multi-step reaction with 6 steps

1.1: sodium hydride / ethanol / 3 h / Heating / reflux

2.1: hydrogen / 5%-palladium/activated carbon / ethanol / 0.75 h / 1810.07 Torr

3.1: lithium hydroxide / tetrahydrofuran; methanol; water / 3 h / 0 - 20 °C

3.2: 12 h / 20 °C

4.1: trifluoromethane sulfonyl chloride; triethylamine / dichloromethane / 47 h / -20 °C

4.2: 2.5 h / 0 - 20 °C

5.1: water; triphenylphosphine / tetrahydrofuran / 19 h / 20 °C

6.1: 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 12 h / 20 °C

With 4-methyl-morpholine; lithium hydroxide; trifluoromethane sulfonyl chloride; water; hydrogen; sodium hydride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; triphenylphosphine; 5%-palladium/activated carbon; In tetrahydrofuran; methanol; ethanol; dichloromethane; water;

Reference yield:

p-chloro-o-nitrophenol (89-64-5) → N1-[(2R,3S)-7-chloro-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-N2-[(3,5-difluorophenyl)acetyl]-L-alaninamide (680229-48-5) + N1-[(2S,3R)-7-chloro-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-N2-[(3,5-difluorophenyl)acetyl]-L-alaninamide

Guidance literature:

Multi-step reaction with 6 steps

1.1: sodium hydride / ethanol / 3 h / Heating / reflux

2.1: hydrogen / 5%-palladium/activated carbon / ethanol / 0.75 h / 1810.07 Torr

3.1: lithium hydroxide / tetrahydrofuran; methanol; water / 3 h / 0 - 20 °C

3.2: 12 h / 20 °C

4.1: trifluoromethane sulfonyl chloride; triethylamine / dichloromethane / 47 h / -20 °C

4.2: 2.5 h / 0 - 20 °C

5.1: water; triphenylphosphine / tetrahydrofuran / 19 h / 20 °C

6.1: 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 12 h / 20 °C

With 4-methyl-morpholine; lithium hydroxide; trifluoromethane sulfonyl chloride; water; hydrogen; sodium hydride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; triphenylphosphine; 5%-palladium/activated carbon; In tetrahydrofuran; methanol; ethanol; dichloromethane; water;

upstream raw materials:

N-(3,5-Difluorophenylacetyl)-L-alanine

(S)-2-[(3,5-difluorophenyl)acetamido]propanoic acid methyl ester

ethyl 3-phenylglycidate

p-chloro-o-nitrophenol

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