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

Base Information

• Chemical Name: methyl S-(((2S,3R)-6,6,6-trifluoro-3-(((3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-L-cysteinate
• CAS No.: 1584647-91-5
• Molecular Formula: C₃₀H₃₂F₇N₅O₅S
• Molecular Weight: 707.669
• Mol file: 1584647-91-5.mol

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

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

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

There total 14 articles about methyl S-(((2S,3R)-6,6,6-trifluoro-3-(((3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-L-cysteinate 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: 41.0%

(R)-methyl 2-((tert-butoxycarbonyl)amino)-3-(((2S,3R)-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)hexanamido)thio)propanoate (1584648-48-5) → methyl S-(((2S,3R)-6,6,6-trifluoro-3-(((3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-L-cysteinate (1584647-91-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃;

Reference yield:

5,5,5-trifluoropentanoic acid (407-62-5) → methyl S-(((2S,3R)-6,6,6-trifluoro-3-(((3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-L-cysteinate (1584647-91-5)

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

4.3: 20 °C

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

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

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

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

9.1: silver nitrate / methanol / 0.5 h

9.2: 20 °C

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

With oxalyl dichloride; palladium 10% on activated carbon; ammonia; water; hydrogen; dihydrogen peroxide; sodium hexamethyldisilazane; benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; silver nitrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N,N-dimethyl-formamide; trifluoroacetic acid; lithium hydroxide; lithium diisopropyl amide; In tetrahydrofuran; methanol; 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) → methyl S-(((2S,3R)-6,6,6-trifluoro-3-(((3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-L-cysteinate (1584647-91-5)

Guidance literature:

Multi-step reaction with 8 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

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

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

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

7.1: silver nitrate / methanol / 0.5 h

7.2: 20 °C

8.1: trifluoroacetic acid / dichloromethane / 0 - 20 °C

With ammonia; water; dihydrogen peroxide; sodium hexamethyldisilazane; benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; silver nitrate; 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