methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate

Base Information

• Chemical Name: methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate
• CAS No.: 1261070-45-4
• Molecular Formula: C₄₄H₅₀N₁₀O₆
• Molecular Weight: 814.944
• Mol file: 1261070-45-4.mol

Synonyms:methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate

Chemical Property of methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate

There total 11 articles about methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate 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:

methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate (1261071-70-8) + N-methoxycarbonyl-L-valine (111398-44-8,74761-42-5) → methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate (1261070-45-4)

Guidance literature:

N-methoxycarbonyl-L-valine; With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 0.333333h;

methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield:

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) → methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate (1261070-45-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide; sodium carbonate / 4 h / 0 - 20 °C

1.2: 0 °C / pH 1

2.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 0.33 h / 20 °C

2.2: 2 h / 20 °C

With sodium carbonate; N-ethyl-N,N-diisopropylamine; HATU; sodium hydroxide; In N,N-dimethyl-formamide;

Reference yield:

N-methoxycarbonyl-L-valine (111398-44-8,74761-42-5) → methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate (1261070-45-4)

Guidance literature:

Multi-step reaction with 6 steps

1.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 20 °C

1.2: 16 h / 20 °C

2.1: potassium acetate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 1,4-dioxane / 3 h / 120 °C / microwave irradiation

3.1: sodium hydrogencarbonate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 1,2-dimethoxyethane / 18 h / 40 °C

4.1: sodium hydrogencarbonate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 1,2-dimethoxyethane / 1 h / 120 °C / microwave irradiation

5.1: hydrogenchloride / 1,4-dioxane; ethanol / 2 h / 70 °C

6.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 0.33 h / 20 °C

6.2: 2 h / 20 °C

With hydrogenchloride; potassium acetate; sodium hydrogencarbonate; N-ethyl-N,N-diisopropylamine; HATU; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,4-dioxane; 1,2-dimethoxyethane; ethanol; N,N-dimethyl-formamide;

upstream raw materials:

N-methoxycarbonyl-L-valine

methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate

L-valine

1-(tert-butoxycarbonyl)-L-proline