((3S)-3-(((2R,3S)-3-carbamoyl-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)methyl (4-(phosphonooxy)phenyl)acetate

Base Information

• Chemical Name: ((3S)-3-(((2R,3S)-3-carbamoyl-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)methyl (4-(phosphonooxy)phenyl)acetate
• CAS No.: 1584647-92-6
• Molecular Formula: C₃₅H₃₄F₇N₄O₉P
• Molecular Weight: 818.639
• Mol file: 1584647-92-6.mol

Synonyms:((3S)-3-(((2R,3S)-3-carbamoyl-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)methyl (4-(phosphonooxy)phenyl)acetate

Chemical Property of ((3S)-3-(((2R,3S)-3-carbamoyl-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)methyl (4-(phosphonooxy)phenyl)acetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of ((3S)-3-(((2R,3S)-3-carbamoyl-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)methyl (4-(phosphonooxy)phenyl)acetate

There total 17 articles about ((3S)-3-(((2R,3S)-3-carbamoyl-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)methyl (4-(phosphonooxy)phenyl)acetate 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: 94.0%

((S,Z)-3-((R)-2-((S)-1-amino-3-trifluoro-1-oxopropan-2-yl)-5,5,5-trifluoropentanamido)-2-oxo-5-(3-fluorophenyl)-9-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)methyl 2-(4-(di-tert-butoxyphosphoryloxy)phenyl)acetate (1584648-50-9) → ((3S)-3-(((2R,3S)-3-carbamoyl-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)methyl (4-(phosphonooxy)phenyl)acetate (1584647-92-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 0.833333h;

Reference yield:

5,5,5-trifluoropentanoic acid (407-62-5) → ((3S)-3-(((2R,3S)-3-carbamoyl-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)methyl (4-(phosphonooxy)phenyl)acetate (1584647-92-6)

Guidance literature:

Multi-step reaction with 10 steps

1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h

1.2: 0.58 h / -78 °C

2.1: sodium hexamethyldisilazane / tetrahydrofuran / 2 h / -78 °C / Inert atmosphere

2.2: 6 h / -78 °C

3.1: lithium hydroxide; dihydrogen peroxide; water / tetrahydrofuran / 1.17 h / 0 °C

4.1: lithium diisopropyl amide / tetrahydrofuran / 2.12 h / -78 °C

4.2: 2.05 h / -78 - -25 °C

5.1: triethylamine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / N,N-dimethyl-formamide / 1 h / 20 °C

6.1: trifluoroacetic acid / dichloromethane / 1.5 h / 20 °C

7.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; ammonia / tetrahydrofuran; isopropyl alcohol / 20 °C

8.1: caesium carbonate / N,N-dimethyl-formamide / 1.83 h / 20 °C / Inert atmosphere

9.1: triethylamine hydrochloride; sulfuryl dichloride / dichloromethane / 0.42 h / 20 °C / Inert atmosphere

9.2: 2.47 h / 20 °C / Inert atmosphere

10.1: trifluoroacetic acid / dichloromethane / 0.83 h / 0 - 20 °C

With sulfuryl dichloride; oxalyl dichloride; ammonia; water; dihydrogen peroxide; sodium hexamethyldisilazane; triethylamine hydrochloride; benzotriazol-1-ol; caesium carbonate; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N,N-dimethyl-formamide; trifluoroacetic acid; lithium hydroxide; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; isopropyl alcohol;

Reference yield:

(4S)-4-benzyl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one (1401065-46-0) → ((3S)-3-(((2R,3S)-3-carbamoyl-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)methyl (4-(phosphonooxy)phenyl)acetate (1584647-92-6)

Guidance literature:

Multi-step reaction with 10 steps

1.1: sodium hexamethyldisilazane / tetrahydrofuran / 2 h / -78 °C / Inert atmosphere

1.2: 6 h / -78 °C

2.1: lithium hydroxide; dihydrogen peroxide; water / tetrahydrofuran / 1.17 h / 0 °C

3.1: lithium diisopropyl amide / tetrahydrofuran / 2.12 h / -78 °C

3.2: 2.05 h / -78 - -25 °C

3.3: 20 °C

4.1: palladium 10% on activated carbon; hydrogen / methanol / 2585.81 Torr / Inert atmosphere

5.1: triethylamine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / N,N-dimethyl-formamide / 1 h / 20 °C

6.1: trifluoroacetic acid / dichloromethane / 1.5 h / 20 °C

7.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; ammonia / tetrahydrofuran; isopropyl alcohol / 20 °C

8.1: caesium carbonate / N,N-dimethyl-formamide / 1.83 h / 20 °C / Inert atmosphere

9.1: triethylamine hydrochloride; sulfuryl dichloride / dichloromethane / 0.42 h / 20 °C / Inert atmosphere

9.2: 2.47 h / 20 °C / Inert atmosphere

10.1: trifluoroacetic acid / dichloromethane / 0.83 h / 0 - 20 °C

With sulfuryl dichloride; palladium 10% on activated carbon; ammonia; water; hydrogen; dihydrogen peroxide; sodium hexamethyldisilazane; triethylamine hydrochloride; benzotriazol-1-ol; caesium carbonate; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; lithium hydroxide; lithium diisopropyl amide; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide; isopropyl alcohol;

upstream raw materials:

(S)-3-amino-5-(3-fluorophenyl)-9-methyl-1H-benzo[e][1,4]diazepin-2(3H)-one

(S)-benzyl (5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)carbamate

(2R,3S)-N-((3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide

(2S,3R)-tert-butyl 6,6,6-trifluoro-3-(((S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoate