methyl 4-((4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)amino)-4-oxo-3-phenylbutanoate

Base Information

• Chemical Name: methyl 4-((4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)amino)-4-oxo-3-phenylbutanoate
• CAS No.: 1445828-55-6
• Molecular Formula: C₄₁H₄₉N₅O₆
• Molecular Weight: 707.87
• Mol file: 1445828-55-6.mol

Synonyms:methyl 4-((4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)amino)-4-oxo-3-phenylbutanoate

Chemical Property of methyl 4-((4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)amino)-4-oxo-3-phenylbutanoate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 4-((4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)amino)-4-oxo-3-phenylbutanoate

There total 9 articles about methyl 4-((4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)amino)-4-oxo-3-phenylbutanoate 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)-1-(4-amino-2-(3-(((tert-butyldimethylsilyl)oxy)methyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)-N,N-dibutyl-5-methyl-1H-pyrazole-3-carboxamide (1445778-90-4) + 2-chlorocarbonyl-2-phenylethyl ester → methyl 4-((4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)amino)-4-oxo-3-phenylbutanoate (1445828-55-6)

Guidance literature:

(S)-1-(4-amino-2-(3-(((tert-butyldimethylsilyl)oxy)methyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)-N,N-dibutyl-5-methyl-1H-pyrazole-3-carboxamide; 2-chlorocarbonyl-2-phenylethyl ester; With triethylamine; In dichloromethane; at 20 ℃; for 1h;

With water; In dichloromethane;

Reference yield:

2-amino-5-nitro-benzoic acid (616-79-5) → methyl 4-((4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)amino)-4-oxo-3-phenylbutanoate (1445828-55-6)

Guidance literature:

Multi-step reaction with 8 steps

1.1: hydrogenchloride; sodium nitrite / water / 0.25 h / 0 °C

1.2: 12 h / 0 - 20 °C

2.1: acetic acid / 2 h / Reflux

3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 12 h / 20 °C / Cooling with ice

4.1: lithium hydroxide monohydrate / water; tetrahydrofuran / 6 h / 20 °C

5.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 12 h / 20 °C

6.1: 1H-imidazole / dichloromethane / 12 h / 20 °C

7.1: palladium 10% on activated carbon; hydrogen / ethanol / 3 h / 20 °C

8.1: triethylamine / dichloromethane / 1 h / 20 °C

With 1H-imidazole; hydrogenchloride; lithium hydroxide monohydrate; palladium 10% on activated carbon; hydrogen; benzotriazol-1-ol; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; sodium nitrite; In tetrahydrofuran; ethanol; dichloromethane; water; N,N-dimethyl-formamide;

Reference yield:

(S)-1-(2-(3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-4-nitrophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid (1445778-86-8) → methyl 4-((4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)amino)-4-oxo-3-phenylbutanoate (1445828-55-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 12 h / 20 °C

2: 1H-imidazole / dichloromethane / 12 h / 20 °C

3: palladium 10% on activated carbon; hydrogen / ethanol / 3 h / 20 °C

4: triethylamine / dichloromethane / 1 h / 20 °C

With 1H-imidazole; palladium 10% on activated carbon; hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In ethanol; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

(S)-ethyl 1-(2-(3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-4-nitrophenyl)-5-methyl-1H-pyrazole-3-carboxylate

(S)-1-(2-(3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-4-nitrophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

(S)-N,N-dibutyl-1-(2-(3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-4-nitrophenyl)-5-methyl-1H-pyrazole-3-carboxamide

(S)-1-(4-amino-2-(3-(((tert-butyldimethylsilyl)oxy)methyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)-N,N-dibutyl-5-methyl-1H-pyrazole-3-carboxamide

Downstream raw materials:

4-((4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)amino)-4-oxo-3-phenylbutanoic acid