(S)-3-(3-bromo-5-(tert-butyl)phenyl)-3-(2-(3-((4,5-dihydro-1H-imidazol-2-yl)amino)-5-hydroxybenzamido)acetamido)propanoic acid

Base Information

• Chemical Name: (S)-3-(3-bromo-5-(tert-butyl)phenyl)-3-(2-(3-((4,5-dihydro-1H-imidazol-2-yl)amino)-5-hydroxybenzamido)acetamido)propanoic acid
• CAS No.: 1541197-01-6
• Molecular Formula: C₂₅H₃₀BrN₅O₅
• Molecular Weight: 560.448
• Mol file: 1541197-01-6.mol

Synonyms:(S)-3-(3-bromo-5-(tert-butyl)phenyl)-3-(2-(3-((4,5-dihydro-1H-imidazol-2-yl)amino)-5-hydroxybenzamido)acetamido)propanoic acid

Chemical Property of (S)-3-(3-bromo-5-(tert-butyl)phenyl)-3-(2-(3-((4,5-dihydro-1H-imidazol-2-yl)amino)-5-hydroxybenzamido)acetamido)propanoic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-3-(3-bromo-5-(tert-butyl)phenyl)-3-(2-(3-((4,5-dihydro-1H-imidazol-2-yl)amino)-5-hydroxybenzamido)acetamido)propanoic acid

There total 9 articles about (S)-3-(3-bromo-5-(tert-butyl)phenyl)-3-(2-(3-((4,5-dihydro-1H-imidazol-2-yl)amino)-5-hydroxybenzamido)acetamido)propanoic 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)-ethyl 3-(3-bromo-5-(tert-butyl)phenyl)-3-(2-(3-((4,5-dihydro-1H-imidazol-2-yl)amino)-5-hydroxybenzamido)acetamido)propanoate (1541198-89-3) → (S)-3-(3-bromo-5-(tert-butyl)phenyl)-3-(2-(3-((4,5-dihydro-1H-imidazol-2-yl)amino)-5-hydroxybenzamido)acetamido)propanoic acid (1541197-01-6)

Guidance literature:

With lithium hydroxide monohydrate; In water; acetonitrile; at 20 ℃;

Reference yield:

1,3-dibromo-5-t-butylbenzene (129316-09-2) → (S)-3-(3-bromo-5-(tert-butyl)phenyl)-3-(2-(3-((4,5-dihydro-1H-imidazol-2-yl)amino)-5-hydroxybenzamido)acetamido)propanoic acid (1541197-01-6)

Guidance literature:

Multi-step reaction with 9 steps

1.1: n-butyllithium / diethyl ether; hexane / 0.5 h / -78 °C / Inert atmosphere

1.2: 0 °C / Inert atmosphere

2.1: ammonium acetate / isopropyl alcohol / 14 h / Reflux; Inert atmosphere

3.1: hydrogenchloride / 1.5 h / Reflux

4.1: water; sodium hydroxide

4.2: 20 °C / pH 8.2 / Enzymatic reaction

5.1: hydrogenchloride / 2 h / Reflux

6.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 16 h / 0 - 20 °C / Inert atmosphere

7.1: hydrogenchloride / 1,4-dioxane / 4 h / Reflux

8.1: benzotriazol-1-ol / N,N-dimethyl-formamide; dichloromethane / 0.17 h / 20 °C / Inert atmosphere

8.2: 20 °C / Inert atmosphere

9.1: lithium hydroxide monohydrate / acetonitrile; water / 20 °C

With hydrogenchloride; n-butyllithium; lithium hydroxide monohydrate; ammonium acetate; water; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; In 1,4-dioxane; diethyl ether; hexane; dichloromethane; water; N,N-dimethyl-formamide; isopropyl alcohol; acetonitrile;

Reference yield:

3-bromo-5-formyl-tert-butylbenzene (241155-85-1) → (S)-3-(3-bromo-5-(tert-butyl)phenyl)-3-(2-(3-((4,5-dihydro-1H-imidazol-2-yl)amino)-5-hydroxybenzamido)acetamido)propanoic acid (1541197-01-6)

Guidance literature:

Multi-step reaction with 8 steps

1.1: ammonium acetate / isopropyl alcohol / 14 h / Reflux; Inert atmosphere

2.1: hydrogenchloride / 1.5 h / Reflux

3.1: water; sodium hydroxide

3.2: 20 °C / pH 8.2 / Enzymatic reaction

4.1: hydrogenchloride / 2 h / Reflux

5.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 16 h / 0 - 20 °C / Inert atmosphere

6.1: hydrogenchloride / 1,4-dioxane / 4 h / Reflux

7.1: benzotriazol-1-ol / N,N-dimethyl-formamide; dichloromethane / 0.17 h / 20 °C / Inert atmosphere

7.2: 20 °C / Inert atmosphere

8.1: lithium hydroxide monohydrate / acetonitrile; water / 20 °C

With hydrogenchloride; lithium hydroxide monohydrate; ammonium acetate; water; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; In 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide; isopropyl alcohol; acetonitrile;

upstream raw materials:

(S)-ethyl 3-(3-bromo-5-(tert-butyl)phenyl)-3-(2-(3-((4,5-dihydro-1H-imidazol-2-yl)amino)-5-hydroxybenzamido)acetamido)propanoate

1,3-dibromo-5-t-butylbenzene

3-bromo-5-formyl-tert-butylbenzene

3-amino-3-(3-bromo-5-tert-butylphenyl)propionic acid