N₂-[(3,5-difluoro-phenyl)acetyl]-N₁-[(2R,3R)-2-(2,5-difluoro-phenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-L-alaninamide

Base Information

• Chemical Name: N₂-[(3,5-difluoro-phenyl)acetyl]-N₁-[(2R,3R)-2-(2,5-difluoro-phenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-L-alaninamide
• CAS No.: 680227-90-1
• Molecular Formula: C₂₆H₂₁F₄N₃O₃S
• Molecular Weight: 531.531

Synonyms:N₂-[(3,5-difluoro-phenyl)acetyl]-N₁-[(2R,3R)-2-(2,5-difluoro-phenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-L-alaninamide

Chemical Property of N₂-[(3,5-difluoro-phenyl)acetyl]-N₁-[(2R,3R)-2-(2,5-difluoro-phenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-L-alaninamide

Chemical Property:

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Technology Process of N₂-[(3,5-difluoro-phenyl)acetyl]-N₁-[(2R,3R)-2-(2,5-difluoro-phenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-L-alaninamide

There total 8 articles about N₂-[(3,5-difluoro-phenyl)acetyl]-N₁-[(2R,3R)-2-(2,5-difluoro-phenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-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: 69.0%

2,3-cis-3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one hydrochloride + N-(3,5-Difluorophenylacetyl)-L-alanine (208124-34-9) → N2-[(3,5-difluoro-phenyl)acetyl]-N1-[(2R,3R)-2-(2,5-difluoro-phenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-L-alaninamide (680227-90-1) + N2-[(3,5-difluorophenyl)acetyl]-N1-[(2S,3S)-2-(2,5-difluorophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-L-alaninamide

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 ℃; for 1h;

Reference yield:

methyl (2Z)-2-{[(benzyloxy)carbonyl]amino}-3-(2,5-difluorophenyl)prop-2-enoate (680230-00-6) → N2-[(3,5-difluoro-phenyl)acetyl]-N1-[(2R,3R)-2-(2,5-difluoro-phenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-L-alaninamide (680227-90-1) + N2-[(3,5-difluorophenyl)acetyl]-N1-[(2S,3S)-2-(2,5-difluorophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-L-alaninamide

Guidance literature:

Multi-step reaction with 4 steps

1: triethylamine / methanol / 96 h / 25 °C

2: toluene-4-sulfonic acid / xylenes / 2 h / Heating / reflux

3: hydrogen bromide / acetic acid / 1.17 h / 25 °C

4: 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 1 h / 0 °C

With 4-methyl-morpholine; hydrogen bromide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; toluene-4-sulfonic acid; In methanol; dichloromethane; acetic acid; xylenes;

Reference yield:

methyl β-[(2-aminophenyl)thio]-N-[(benzyloxy)carbonyl]-2,5-difluorophenylalaninate (950224-79-0) → N2-[(3,5-difluoro-phenyl)acetyl]-N1-[(2R,3R)-2-(2,5-difluoro-phenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-L-alaninamide (680227-90-1) + N2-[(3,5-difluorophenyl)acetyl]-N1-[(2S,3S)-2-(2,5-difluorophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-L-alaninamide

Guidance literature:

Multi-step reaction with 3 steps

1: toluene-4-sulfonic acid / xylenes / 2 h / Heating / reflux

2: hydrogen bromide / acetic acid / 1.17 h / 25 °C

3: 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 1 h / 0 °C

With 4-methyl-morpholine; hydrogen bromide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; toluene-4-sulfonic acid; In dichloromethane; acetic acid; xylenes;

upstream raw materials:

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

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

methyl (2Z)-2-{[(benzyloxy)carbonyl]amino}-3-(2,5-difluorophenyl)prop-2-enoate

methyl β-[(2-aminophenyl)thio]-N-[(benzyloxy)carbonyl]-2,5-difluorophenylalaninate

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