4-((S)-3-(((S)-1-((5-(benzylcarbamoyl)-4'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate

Base Information

Chemical Name:4-((S)-3-(((S)-1-((5-(benzylcarbamoyl)-4'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate
CAS No.:1283116-45-9
Molecular Formula:C₄₄H₄₁N₆O₈P
Molecular Weight:812.819
Hs Code.:

4-((S)-3-(((S)-1-((5-(benzylcarbamoyl)-4'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate

Synonyms:4-((S)-3-(((S)-1-((5-(benzylcarbamoyl)-4'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate

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Chemical Property of 4-((S)-3-(((S)-1-((5-(benzylcarbamoyl)-4'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate

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Technology Process of 4-((S)-3-(((S)-1-((5-(benzylcarbamoyl)-4'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate

There total 19 articles about 4-((S)-3-(((S)-1-((5-(benzylcarbamoyl)-4'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate 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: 98.0%

: 1283116-93-7
4-((S)-3-(((S)-1-((5-(benzylcarbamoyl)-4'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl N,N,N',N'-tetramethylphosphordiamidate

: 1283116-45-9
4-((S)-3-(((S)-1-((5-(benzylcarbamoyl)-4'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate

Guidance literature:: With water; trifluoroacetic acid; at 25 ℃; for 16h; Inert atmosphere;
DOI:10.1016/j.bmc.2010.12.010

Reference yield:

: 6307-83-1
3-bromo-5-nitro-benzoic acid

: 1283116-45-9
4-((S)-3-(((S)-1-((5-(benzylcarbamoyl)-4'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate

Guidance literature:: Multi-step reaction with 9 steps

1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 0.17 h / 25 °C / Inert atmosphere

2.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.25 h / Inert atmosphere

3.1: tin(II) chloride dihdyrate / ethyl acetate / 2 h / 70 °C / Inert atmosphere

3.2: Inert atmosphere

4.1: 4-methyl-morpholine / tetrahydrofuran / 25 °C / Inert atmosphere

5.1: trifluoroacetic acid / dichloromethane / 3 h / 25 °C / Inert atmosphere

6.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.17 h / 25 °C / Inert atmosphere

6.2: 4 h / 25 °C / Inert atmosphere

7.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / N,N-dimethyl-formamide / 0.28 h / 170 °C / Inert atmosphere; Sealed vessel; Microwave irradiation

8.1: dmap; 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran; dichloromethane / 6 h / 25 °C / Inert atmosphere

9.1: water; trifluoroacetic acid / 16 h / 25 °C / Inert atmosphere

With 4-methyl-morpholine; dmap; tetrakis(triphenylphosphine) palladium⁽⁰⁾; oxalyl dichloride; tin(II) chloride dihdyrate; water; potassium carbonate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; 7.1: Suzuki coupling;
DOI:10.1016/j.bmc.2010.12.010

Reference yield:

: 1283116-52-8
3-amino-N-benzyl-5-bromobenzamide

: 1283116-45-9
4-((S)-3-(((S)-1-((5-(benzylcarbamoyl)-4'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate

Guidance literature:: Multi-step reaction with 6 steps

1.1: 4-methyl-morpholine / tetrahydrofuran / 25 °C / Inert atmosphere

2.1: trifluoroacetic acid / dichloromethane / 3 h / 25 °C / Inert atmosphere

3.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.17 h / 25 °C / Inert atmosphere

3.2: 4 h / 25 °C / Inert atmosphere

4.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / N,N-dimethyl-formamide / 0.28 h / 170 °C / Inert atmosphere; Sealed vessel; Microwave irradiation

5.1: dmap; 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran; dichloromethane / 6 h / 25 °C / Inert atmosphere

6.1: water; trifluoroacetic acid / 16 h / 25 °C / Inert atmosphere

With 4-methyl-morpholine; dmap; tetrakis(triphenylphosphine) palladium⁽⁰⁾; water; potassium carbonate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; 4.1: Suzuki coupling;
DOI:10.1016/j.bmc.2010.12.010