(2S,3R)-N-((isobutylamino)methyl)-N’-((3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide

Base Information

• Chemical Name: (2S,3R)-N-((isobutylamino)methyl)-N’-((3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide
• CAS No.: 1581704-41-7
• Molecular Formula: C₃₁H₃₇F₆N₅O₃
• Molecular Weight: 641.657
• Mol file: 1581704-41-7.mol

Synonyms:(2S,3R)-N-((isobutylamino)methyl)-N’-((3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide

Chemical Property of (2S,3R)-N-((isobutylamino)methyl)-N’-((3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (2S,3R)-N-((isobutylamino)methyl)-N’-((3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide

There total 13 articles about (2S,3R)-N-((isobutylamino)methyl)-N’-((3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide 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: 35.6%

(2R,3S)-N-((3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3- trifluoropropyl)succinamide (1401066-79-2) + isobutylamine (78-81-9) → (2S,3R)-N-((isobutylamino)methyl)-N’-((3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide (1581704-41-7)

Guidance literature:

With formaldehyd; In ethanol; at 75 ℃; for 48h;

Reference yield:

(2R,3S)-3-(tert-butoxycarbonyl)-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoic acid (1401067-03-5) → (2S,3R)-N-((isobutylamino)methyl)-N’-((3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide (1581704-41-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: N,N-dimethyl-formamide / 20 - 25 °C / Inert atmosphere

1.2: 20 - 25 °C / Inert atmosphere

2.1: trifluoroacetic acid / dichloromethane / 0 - 25 °C / Inert atmosphere

3.1: ammonium chloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; triethylamine / N,N-dimethyl-formamide / Inert atmosphere

4.1: formaldehyd / ethanol / 48 h / 75 °C

With formaldehyd; ammonium chloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; In ethanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

tert-butyl (3R)-6,6,6-trifluoro-3-(((4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl)carbonyl)-2-(3,3,3-trifluoropropyl)hexanoate (1401067-01-3) → (2S,3R)-N-((isobutylamino)methyl)-N’-((3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide (1581704-41-7)

Guidance literature:

Multi-step reaction with 5 steps

1.1: dihydrogen peroxide; lithium hydroxide / water; tetrahydrofuran / 1 h / 0 °C

2.1: N,N-dimethyl-formamide / 20 - 25 °C / Inert atmosphere

2.2: 20 - 25 °C / Inert atmosphere

3.1: trifluoroacetic acid / dichloromethane / 0 - 25 °C / Inert atmosphere

4.1: ammonium chloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; triethylamine / N,N-dimethyl-formamide / Inert atmosphere

5.1: formaldehyd / ethanol / 48 h / 75 °C

With formaldehyd; dihydrogen peroxide; ammonium chloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; lithium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

(2R,3S)-3-(tert-butoxycarbonyl)-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoic acid

(S)-3-amino-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one

tert-butyl (2S,3R)-6,6,6-trifluoro-3-(((3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoate

(2S,3R)-6,6,6-trifluoro-3-((⁽³⁵⁾-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoic acid