C₅₀H₆₀N₈O₇S

Base Information

• Chemical Name: C₅₀H₆₀N₈O₇S
• CAS No.: 1612854-93-9
• Molecular Formula: C₅₀H₆₀N₈O₇S
• Molecular Weight: 917.142
• Mol file: 1612854-93-9.mol

Synonyms:C₅₀H₆₀N₈O₇S

Chemical Property of C₅₀H₆₀N₈O₇S

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₅₀H₆₀N₈O₇S

There total 18 articles about C₅₀H₆₀N₈O₇S 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: 45.0%

C25H35BN4O6 (1560648-20-5) + C31H37BrN4O3S (1612854-92-8) → C50H60N8O7S (1612854-93-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,2-dimethoxyethane; water; at 90 ℃; for 4h; Inert atmosphere;

Reference yield:

(S)-tert-butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate (1007882-04-3) → C50H60N8O7S (1612854-93-9)

Guidance literature:

Multi-step reaction with 5 steps

1: hydrogenchloride / ethyl acetate / 8 h / 20 °C

2: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 3 h / 0 - 20 °C

3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate / N,N-dimethyl-formamide / 3 h / 90 °C / Inert atmosphere

4: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,2-dimethoxyethane; water / 4 h / 90 °C / Inert atmosphere

5: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,2-dimethoxyethane; water / 4 h / 90 °C / Inert atmosphere

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In 1,2-dimethoxyethane; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide;

Reference yield:

(S)-5-(4-bromophenyl)-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride → C50H60N8O7S (1612854-93-9)

Guidance literature:

Multi-step reaction with 4 steps

1: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 3 h / 0 - 20 °C

2: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate / N,N-dimethyl-formamide / 3 h / 90 °C / Inert atmosphere

3: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,2-dimethoxyethane; water / 4 h / 90 °C / Inert atmosphere

4: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,2-dimethoxyethane; water / 4 h / 90 °C / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In 1,2-dimethoxyethane; dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

(S)-tert-butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate

((S)-1-{(S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carbonyl}-2-methylpropyl)carbamic acid methyl ester

[(S)-2-methyl-1-((S)-2-{5-[4-(4,4,5,5 tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-propyl]-carbamic acid methyl ester

C₁₁H₁₂Br₂S

Refernces