BAY 58-2667 hydrochloride

Base Information

• Chemical Name: BAY 58-2667 hydrochloride
• CAS No.: 646995-35-9
• Molecular Formula: C₃₆H₃₉NO₅*ClH
• Molecular Weight: 602.17
• Mol file: 646995-35-9.mol

Synonyms:

Chemical Property of BAY 58-2667 hydrochloride

Chemical Property:

• Storage Temp.: -20°C

Purity/Quality:

97% ^*data from raw suppliers

BAY58-2667Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of BAY 58-2667 hydrochloride

There total 10 articles about BAY 58-2667 hydrochloride 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: 92.0%

methyl 4-(((5-methoxy-5-oxopentyl)(2-((4-phenethylbenzyl)oxy)phenethyl)amino)methyl)benzoate (329773-33-3) → 4-[[(4-carboxybutyl)-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid hydrochloride (646995-35-9)

Guidance literature:

methyl 4-(((5-methoxy-5-oxopentyl)(2-((4-phenethylbenzyl)oxy)phenethyl)amino)methyl)benzoate; With sodium hydroxide; In 1,4-dioxane; at 60 ℃; for 18h; Inert atmosphere;

With hydrogenchloride; In water; pH=4;

DOI:10.1021/jm400539d

Reference yield:

1-(bromomethyl)-4-phenethylbenzene (79757-91-8) → 4-[[(4-carboxybutyl)-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid hydrochloride (646995-35-9)

Guidance literature:

Multi-step reaction with 7 steps

1.1: potassium carbonate / acetonitrile / 3.5 h / Reflux; Inert atmosphere

2.1: lithium hydroxide monohydrate / tetrahydrofuran; water / 16 h / 22 °C / Inert atmosphere

3.1: 1,1'-carbonyldiimidazole; dmap / dichloromethane / 0.75 h / 22 °C / Inert atmosphere

3.2: 3 h / 22 °C / Inert atmosphere

4.1: borane-THF / tetrahydrofuran / 3 h / 0 °C / Reflux; Inert atmosphere

5.1: pyridine / N,N-dimethyl-formamide / 1 h / 22 °C / Inert atmosphere

6.1: borane-THF / tetrahydrofuran / 18 h / 22 °C / Inert atmosphere

7.1: sodium hydroxide / 1,4-dioxane / 18 h / 60 °C / Inert atmosphere

7.2: pH 4

With pyridine; dmap; borane-THF; lithium hydroxide monohydrate; potassium carbonate; 1,1'-carbonyldiimidazole; sodium hydroxide; In tetrahydrofuran; 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1021/jm400539d

Reference yield:

methyl 4-(chlorocarbonyl)butyrate (1501-26-4) → 4-[[(4-carboxybutyl)-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid hydrochloride (646995-35-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: pyridine / N,N-dimethyl-formamide / 1 h / 22 °C / Inert atmosphere

2.1: borane-THF / tetrahydrofuran / 18 h / 22 °C / Inert atmosphere

3.1: sodium hydroxide / 1,4-dioxane / 18 h / 60 °C / Inert atmosphere

3.2: pH 4

With pyridine; borane-THF; sodium hydroxide; In tetrahydrofuran; 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1021/jm400539d

upstream raw materials:

methyl 4-(((5-methoxy-5-oxopentyl)(2-((4-phenethylbenzyl)oxy)phenethyl)amino)methyl)benzoate

methyl 4-(((2-((4-phenethylbenzyl)oxy)phenethyl)amino)methyl)benzoate

methyl 4-(chlorocarbonyl)butyrate

methyl 4-((5-methoxy-5-oxo-N-(2-((4-phenethylbenzyl)oxy)phenethyl)pentanamido)methyl)benzoate