C₃₆H₃₉N₃O₄

Base Information

• Chemical Name: C₃₆H₃₉N₃O₄
• CAS No.: 1346434-79-4
• Molecular Formula: C₃₆H₃₉N₃O₄
• Molecular Weight: 577.723
• Mol file: 1346434-79-4.mol

Synonyms:C₃₆H₃₉N₃O₄

Chemical Property of C₃₆H₃₉N₃O₄

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₃₆H₃₉N₃O₄

There total 9 articles about C₃₆H₃₉N₃O₄ 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: 73.0%

3-[3-tert-butylsulfanyl-1-[4-(6-ethoxy-pyridin-3-yl)-benzyl]-5-(5-methyl-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester (1196965-16-8) → C36H39N3O4 (1346434-79-4)

Guidance literature:

With aluminum (III) chloride; water; In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jm2008369

Reference yield:

2,5-dimethylpyridine N-oxide (4986-05-4) → C36H39N3O4 (1346434-79-4)

Guidance literature:

Multi-step reaction with 5 steps

1: 1.5 h / 100 °C / Inert atmosphere; Reflux

2: hydrogenchloride / water / 1 h / Inert atmosphere; Reflux

3: thionyl chloride / 0.5 h / Inert atmosphere; Reflux

4: caesium carbonate / acetonitrile / 12 h / 20 °C / Inert atmosphere

5: aluminum (III) chloride; water / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere

With hydrogenchloride; aluminum (III) chloride; thionyl chloride; water; caesium carbonate; In dichloromethane; water; acetonitrile;

DOI:10.1021/jm2008369

Reference yield:

3-[1-(4-bromo-benzyl)-3-tert-butylsulfanyl-5-hydroxy-1H-indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester (936351-54-1) → C36H39N3O4 (1346434-79-4)

Guidance literature:

Multi-step reaction with 4 steps

1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate / 1,4-dioxane / 12 h / 85 °C / Inert atmosphere

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / 1,2-dimethoxyethane; water / 24 h / 80 °C / Inert atmosphere

3: caesium carbonate / acetonitrile / 12 h / 20 °C / Inert atmosphere

4: aluminum (III) chloride; water / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere

With aluminum (III) chloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; water; potassium acetate; potassium carbonate; caesium carbonate; In 1,4-dioxane; 1,2-dimethoxyethane; dichloromethane; water; acetonitrile; 2: Suzuki coupling;

DOI:10.1021/jm2008369

upstream raw materials:

2,5-dimethylpyridine N-oxide

3-[1-(4-bromo-benzyl)-3-tert-butylsulfanyl-5-hydroxy-1H-indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester

2-acetoxymethyl-5-methyl pyridine

3-{3-tert-butylsulfanyl-1-[4-(6-ethoxy-pyridin-3-yl)-benzyl]-5-hydroxy-1H-indol-2-yl}-2,2-dimethyl-propionic acid ethyl ester

Downstream raw materials:

3-[1-[4-(6-ethoxypyridin-3-yl)benzyl]-5-(5-methylpyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropionic acid

3-[3-(3,3-dimethylbutyryl)-1-[4-(6-ethoxypyridin-3-yl)-benzyl]-5-(5-methylpyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropionic acid

3-[1-[4-(6-ethoxypyridin-3-yl)benzyl]-5-(5-methylpyridin-2-ylmethoxy)-3-phenylacetyl-1H-indol-2-yl]-2,2-dimethylpropionic acid

C₄₂H₄₉N₃O₅