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

Base Information

• Chemical Name: N₁-[(2R,3R)-7-chloro-2-(2,5-difluorophenyl)-4-oxo-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-N₂-[(3,5-difluorophenyl)acetyl]-L-alaninamide
• CAS No.: 680228-35-7
• Molecular Formula: C₃₂H₂₄ClF₄N₃O₃S
• Molecular Weight: 642.073

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

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

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

There total 7 articles about N₁-[(2R,3R)-7-chloro-2-(2,5-difluorophenyl)-4-oxo-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-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: 19.0%

(2,3-cis)-3-amino-7-chloro-2-(2,5-difluorophenyl)-4-oxo-5-phenyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one + N-(3,5-Difluorophenylacetyl)-L-alanine (208124-34-9) → N1-[(2R,3R)-7-chloro-2-(2,5-difluorophenyl)-4-oxo-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-N2-[(3,5-difluorophenyl)acetyl]-L-alaninamide (680228-35-7)

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In DMF (N,N-dimethyl-formamide); at 20 ℃;

Reference yield: 19.0%

(2,3-cis)-3-amino-7-chloro-2-(2,5-difluorophenyl)-4-oxo-5-phenyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one + N-(3,5-Difluorophenylacetyl)-L-alanine (208124-34-9) → N1-[(2S,3S)-7-chloro-2-(2,5-difluorophenyl)-4-oxo-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-N2-[(3,5-difluorophenyl)acetyl]-L-alaninamide + N1-[(2R,3R)-7-chloro-2-(2,5-difluorophenyl)-4-oxo-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-N2-[(3,5-difluorophenyl)acetyl]-L-alaninamide (680228-35-7)

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

Reference yield:

methyl β-[(2-amino-4-chlorophenyl)thio]-N-[(benzyloxy)carbonyl]-2,5-difluorophenylalaninate → N1-[(2S,3S)-7-chloro-2-(2,5-difluorophenyl)-4-oxo-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-N2-[(3,5-difluorophenyl)acetyl]-L-alaninamide + N1-[(2R,3R)-7-chloro-2-(2,5-difluorophenyl)-4-oxo-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-N2-[(3,5-difluorophenyl)acetyl]-L-alaninamide (680228-35-7)

Guidance literature:

Multi-step reaction with 4 steps

1: toluene-4-sulfonic acid / xylenes / 5 h / 150 - 170 °C

2: potassium acetate; copper / 24 h / 150 °C

3: hydrogen bromide / acetic acid / 1.5 h / 20 °C

4: 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 12 h / 20 °C

With 4-methyl-morpholine; hydrogen bromide; potassium acetate; copper; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; toluene-4-sulfonic acid; In acetic acid; N,N-dimethyl-formamide; xylenes;

upstream raw materials:

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

bromobenzene

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

3,5-difluorophenyl acetic acid

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