BMS-983970

Base Information

• Chemical Name: BMS-983970
• CAS No.: 1584713-87-0
• Molecular Formula: C₂₆H₂₆F₄N₄O₃
• Molecular Weight: 518.511
• Mol file: 1584713-87-0.mol

Synonyms:(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

Chemical Property of BMS-983970

Chemical Property:

• Boiling Point: 730.2±60.0 °C(Predicted)
• PKA: 10.57±0.70(Predicted)
• Density: 1.45±0.1 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

BMS-983970 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of BMS-983970

There total 17 articles about BMS-983970 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: 32.0%

C30H33F4N3O4 → (2R,3S)-3-(cyclopropylmethyl)-N1-((R)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-2-(3,3,3-trifluoropropyl)succinamide (1584715-30-9) + (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)

Guidance literature:

C₃₀H₃₃F₄N₃O₄; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1.83333h;

With ammonia; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; isopropyl alcohol; at 8 - 20 ℃;

In methanol; carbon dioxide; at 40 ℃; under 75007.5 Torr; Supercritical conditions; liquid CO₂;

Reference yield:

(2-amino-3-fluorophenyl)(phenyl)methanone (1584139-76-3) → (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)

Guidance literature:

Multi-step reaction with 4 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

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

Reference yield:

7-fluoro-3-hydroxy-3-phenylindolin-2-one (1584139-77-4) → (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)

Guidance literature:

Multi-step reaction with 5 steps

1.1: potassium hexacyanoferrate(II); sodium hydrogencarbonate; sodium hydroxide / N,N-dimethyl-formamide; water / 1.67 h / 110 - 120 °C

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

2.2: 20 °C

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

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

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

5.2: 8 - 20 °C

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

With potassium hexacyanoferrate(II); oxalyl dichloride; hydrogen bromide; sodium hydrogencarbonate; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; acetic acid; triethylamine; trifluoroacetic acid; sodium hydroxide; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

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

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

(R)-2-((S)-1-tert-butoxy-3-cyclopropyl-1-oxopropan-2-yl)-5,5,5-trifluoropentanoic acid

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

Downstream raw materials:

((3S)-3-(((2R)-2-((1S)-2-amino-1-(cyclopropylmethyl)-2-oxoethyl)-5,5,5-trifluoropentanoyl)amino)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)methyl L-valinate

((S)-3-((R)-2-((S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl)-5,5,5-trifluoropentanamido)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)methyl 1-(tert-butoxycarbonylamino)cyclopropanecarboxylate

((3S)-3-(((2R)-2-((1S)-2-amino-1-(cyclopropylmethyl)-2-oxoethyl)-5,5,5-trifluoropentanoyl)amino)-9-fluoro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)methyl 1-aminocyclopropanecarboxylate

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