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

Base Information

• Chemical Name: N₁-[(2R,3R)-7-chloro-2-(2,5-difluorophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-N₂-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-L-alaninamide
• CAS No.: 680229-36-1
• Molecular Formula: C₂₆H₂₀ClF₄N₃O₄S
• Molecular Weight: 581.975

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

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

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

There total 4 articles about N₁-[(2R,3R)-7-chloro-2-(2,5-difluorophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-N₂-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-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:

N-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-L-alaninate (680231-79-2) + 3-amino-7-chloro-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one → N1-[(2R,3R)-7-chloro-2-(2,5-difluorophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-N2-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-L-alaninamide (680229-36-1) + N2-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-N1-[(2S,3S)-7-chloro-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; N,N-dimethyl-formamide; at 25 ℃; for 12h;

Reference yield:

N-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-L-alaninate (680231-79-2) + (2,3-cis)-3-amino-7-chloro-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one hydrobromide → N1-[(2R,3R)-7-chloro-2-(2,5-difluorophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-N2-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-L-alaninamide (680229-36-1) + N2-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-N1-[(2S,3S)-7-chloro-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 DMF (N,N-dimethyl-formamide); dichloromethane; at 20 ℃;

Reference yield:

S-(+)-3.5-Difluoromandelic Acid (132741-31-2) → N1-[(2R,3R)-7-chloro-2-(2,5-difluorophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]-N2-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-L-alaninamide (680229-36-1) + N2-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-N1-[(2S,3S)-7-chloro-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

1.1: 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 12 h / 20 °C

2.1: lithium hydroxide / dichloromethane; water / 12 h

2.2: pH 1 / Acidic conditions

3.1: 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane; N,N-dimethyl-formamide / 12 h / 25 °C

With 4-methyl-morpholine; lithium hydroxide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

N-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-L-alaninate

S-(+)-3.5-Difluoromandelic Acid

methyl N-[(2S)-2-(3,5-difluorophenyl)-2-hydroxylacetyl]-L-alaninate

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