(2S,2'S)-di-tert-butyl 2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate) 4-nitrobenzoic acid

Base Information

• Chemical Name: (2S,2'S)-di-tert-butyl 2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate) 4-nitrobenzoic acid
• CAS No.: 1585969-26-1
• Molecular Formula: 2C₇H₅NO₄*C₄₅H₄₉N₇O₅
• Molecular Weight: 1102.17

Synonyms:

Chemical Property of (2S,2'S)-di-tert-butyl 2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate) 4-nitrobenzoic acid

Chemical Property:

Purity/Quality:

99% ^*data from raw suppliers

1-Pyrrolidinecarboxylicacid,2,2'-[[(6S)-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine-3,10-diyl]di-1H-imidazole-5,2-diyl]bis-,1,1'-bis(1,1-dimethylethyl)ester,(2S,2'S)-,4-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (2S,2'S)-di-tert-butyl 2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate) 4-nitrobenzoic acid

There total 11 articles about (2S,2'S)-di-tert-butyl 2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate) 4-nitrobenzoic acid 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:

(S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid tert-butyl ester (1007882-59-8) + (S)-6-phenyl-3,10-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-benzo-[5,6][1,3]oxazino-[3,4-a]indole + 4-nitro-benzoic acid (62-23-7) → (2S,2'S)-di-tert-butyl 2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate) 4-nitrobenzoic acid (1585969-26-1)

Guidance literature:

(S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid tert-butyl ester; (S)-6-phenyl-3,10-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-benzo-[5,6][1,3]oxazino-[3,4-a]indole; With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; (4-(N,N-dimethylamino)phenyl)-di-tert-butylphosphine; potassium carbonate; In 1,2-dimethoxyethane; at 20 - 80 ℃; for 16.5h; Inert atmosphere;

4-nitro-benzoic acid; In toluene; at 60 ℃;

DOI:10.1021/ol500971c

Reference yield:

(2,5-dibromo-phenyl)-acetyl chloride (203314-51-6) → (2S,2'S)-di-tert-butyl 2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate) 4-nitrobenzoic acid (1585969-26-1)

Guidance literature:

Multi-step reaction with 9 steps

1.1: 2,6-dimethylpyridine / dichloromethane / 1 h / 0 - 5 °C / Inert atmosphere

2.1: Methanesulfonic anhydride; methanesulfonic acid / 65 °C / Inert atmosphere

3.1: ammonia / methanol / 20 h / 20 °C / Inert atmosphere

4.1: N-[(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-4-methylbenzene sulfonamide ammonium chloride ruthenium; ammonium formate / dichloromethane / 24 h / 70 °C / 2016.93 Torr / Inert atmosphere

5.1: copper(l) iodide; caesium carbonate / N,N-dimethyl-formamide / 1 h / 45 °C / Inert atmosphere

6.1: trifluoroacetic acid / acetonitrile / 3 h / 30 - 35 °C / Inert atmosphere

7.1: sodium hydrogencarbonate; potassium permanganate / water; N,N-dimethyl acetamide / 10 °C / Inert atmosphere

8.1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; di(1-adamantyl)-n-butylphosphine; potassium acetate / 1,2-dimethoxyethane / 4 h / 80 - 83 °C / Inert atmosphere

9.1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; (4-(N,N-dimethylamino)phenyl)-di-tert-butylphosphine; potassium carbonate / 1,2-dimethoxyethane / 16.5 h / 20 - 80 °C / Inert atmosphere

9.2: 60 °C

With 2,6-dimethylpyridine; potassium permanganate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; copper(l) iodide; methanesulfonic acid; (4-(N,N-dimethylamino)phenyl)-di-tert-butylphosphine; di(1-adamantyl)-n-butylphosphine; N-[(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-4-methylbenzene sulfonamide ammonium chloride ruthenium; ammonia; ammonium formate; potassium acetate; sodium hydrogencarbonate; potassium carbonate; caesium carbonate; trifluoroacetic acid; Methanesulfonic anhydride; In methanol; 1,2-dimethoxyethane; dichloromethane; N,N-dimethyl acetamide; water; N,N-dimethyl-formamide; acetonitrile; 2.1: |Fries Phenol Ester Rearrangement / 9.1: |Suzuki Coupling;

DOI:10.1021/ol500971c

Reference yield:

3-bromophenyl 2-(2,5-dibromophenyl)acetate (1403991-82-1) → (2S,2'S)-di-tert-butyl 2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate) 4-nitrobenzoic acid (1585969-26-1)

Guidance literature:

Multi-step reaction with 8 steps

1.1: Methanesulfonic anhydride; methanesulfonic acid / 65 °C / Inert atmosphere

2.1: ammonia / methanol / 20 h / 20 °C / Inert atmosphere

3.1: N-[(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-4-methylbenzene sulfonamide ammonium chloride ruthenium; ammonium formate / dichloromethane / 24 h / 70 °C / 2016.93 Torr / Inert atmosphere

4.1: copper(l) iodide; caesium carbonate / N,N-dimethyl-formamide / 1 h / 45 °C / Inert atmosphere

5.1: trifluoroacetic acid / acetonitrile / 3 h / 30 - 35 °C / Inert atmosphere

6.1: sodium hydrogencarbonate; potassium permanganate / water; N,N-dimethyl acetamide / 10 °C / Inert atmosphere

7.1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; di(1-adamantyl)-n-butylphosphine; potassium acetate / 1,2-dimethoxyethane / 4 h / 80 - 83 °C / Inert atmosphere

8.1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; (4-(N,N-dimethylamino)phenyl)-di-tert-butylphosphine; potassium carbonate / 1,2-dimethoxyethane / 16.5 h / 20 - 80 °C / Inert atmosphere

8.2: 60 °C

With potassium permanganate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; copper(l) iodide; methanesulfonic acid; (4-(N,N-dimethylamino)phenyl)-di-tert-butylphosphine; di(1-adamantyl)-n-butylphosphine; N-[(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-4-methylbenzene sulfonamide ammonium chloride ruthenium; ammonia; ammonium formate; potassium acetate; sodium hydrogencarbonate; potassium carbonate; caesium carbonate; trifluoroacetic acid; Methanesulfonic anhydride; In methanol; 1,2-dimethoxyethane; dichloromethane; N,N-dimethyl acetamide; water; N,N-dimethyl-formamide; acetonitrile; 1.1: |Fries Phenol Ester Rearrangement / 8.1: |Suzuki Coupling;

DOI:10.1021/ol500971c

upstream raw materials:

5-bromo-2-(2-(2,5-dibromophenyl)-1-iminoethyl)phenol

(R)-2-(1-amino-2-(2,5-dibromophenyl)ethyl)-5-bromophenol

(R)-5-bromo-2-(5-bromoindolin-2-yl)phenol

2-(2,5-dibromophenyl)-acetic acid

Downstream raw materials:

6-phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole

N,N'-[[(6S)-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine-3,10-diyl]bis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl-[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis[carbamic acid] C,C'-dimethyl ester

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