(2S,3R)-2-(cyclopropylmethyl)-N₄-((3S)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-N₁-(1-pyrrolidinylmethyl)-3-(3,3,3-trifluoropropyl)succinamide

Base Information

• Chemical Name: (2S,3R)-2-(cyclopropylmethyl)-N₄-((3S)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-N₁-(1-pyrrolidinylmethyl)-3-(3,3,3-trifluoropropyl)succinamide
• CAS No.: 1584714-70-4
• Molecular Formula: C₃₁H₃₅F₄N₅O₃
• Molecular Weight: 601.644
• Mol file: 1584714-70-4.mol

Synonyms:(2S,3R)-2-(cyclopropylmethyl)-N₄-((3S)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-N₁-(1-pyrrolidinylmethyl)-3-(3,3,3-trifluoropropyl)succinamide

Chemical Property of (2S,3R)-2-(cyclopropylmethyl)-N₄-((3S)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-N₁-(1-pyrrolidinylmethyl)-3-(3,3,3-trifluoropropyl)succinamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (2S,3R)-2-(cyclopropylmethyl)-N₄-((3S)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-N₁-(1-pyrrolidinylmethyl)-3-(3,3,3-trifluoropropyl)succinamide

There total 18 articles about (2S,3R)-2-(cyclopropylmethyl)-N₄-((3S)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-N₁-(1-pyrrolidinylmethyl)-3-(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: 55.2%

pyrrolidine (123-75-1) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + (2R,3S)-3-(cyclopropylmethyl)-N-((3S)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2-(3,3,3-trifluoropropyl)succinamide (1584713-87-0) → (2S,3R)-2-(cyclopropylmethyl)-N4-((3S)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-N1-(1-pyrrolidinylmethyl)-3-(3,3,3-trifluoropropyl)succinamide (1584714-70-4)

Guidance literature:

In methanol; at 24 ℃; for 15h;

Reference yield:

(2-amino-3-fluorophenyl)(phenyl)methanone (1584139-76-3) → (2S,3R)-2-(cyclopropylmethyl)-N4-((3S)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-N1-(1-pyrrolidinylmethyl)-3-(3,3,3-trifluoropropyl)succinamide (1584714-70-4)

Guidance literature:

Multi-step reaction with 5 steps

1.1: oxalyl dichloride / N,N-dimethyl-formamide; tetrahydrofuran / 1.5 h / 0 °C

1.2: 20 °C

2.1: hydrogen bromide; acetic acid / 1.5 h / 20 °C

3.1: triethylamine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / N,N-dimethyl-formamide / 1.5 h / 20 °C

4.1: trifluoroacetic acid / dichloromethane / 1.83 h / 20 °C

4.2: 8 - 20 °C

4.3: Lux-Cell₄ / 40 °C / 75007.5 Torr / Supercritical conditions; liquid CO₂

5.1: methanol / 15 h / 24 °C

With oxalyl dichloride; hydrogen bromide; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; acetic acid; triethylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

3-amino-9-fluoro-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one (1584714-99-7) → (2S,3R)-2-(cyclopropylmethyl)-N4-((3S)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-N1-(1-pyrrolidinylmethyl)-3-(3,3,3-trifluoropropyl)succinamide (1584714-70-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: triethylamine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / N,N-dimethyl-formamide / 1.5 h / 20 °C

2.1: trifluoroacetic acid / dichloromethane / 1.83 h / 20 °C

2.2: 8 - 20 °C

2.3: Lux-Cell₄ / 40 °C / 75007.5 Torr / Supercritical conditions; liquid CO₂

3.1: methanol / 15 h / 24 °C

With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; trifluoroacetic acid; In methanol; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

(2-amino-3-fluorophenyl)(phenyl)methanone

7-fluoro-3-hydroxy-3-phenylindolin-2-one

3-amino-9-fluoro-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one

benzyl 9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylcarbamate