C₄₂H₄₉N₃O₅

Base Information

• Chemical Name: C₄₂H₄₉N₃O₅
• CAS No.: 1346434-81-8
• Molecular Formula: C₄₂H₄₉N₃O₅
• Molecular Weight: 675.868
• Mol file: 1346434-81-8.mol

Synonyms:C₄₂H₄₉N₃O₅

Chemical Property of C₄₂H₄₉N₃O₅

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₄₂H₄₉N₃O₅

There total 10 articles about C₄₂H₄₉N₃O₅ 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: 65.0%

3,3-dimethylbutanoic acid chloride (7065-46-5) + C36H39N3O4 (1346434-79-4) → C42H49N3O5 (1346434-81-8)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-ethane; at 65 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jm2008369

Reference yield:

2,5-dimethylpyridine N-oxide (4986-05-4) → C42H49N3O5 (1346434-81-8)

Guidance literature:

Multi-step reaction with 6 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

6: aluminum (III) chloride / 1,2-dichloro-ethane / 1 h / 65 °C / Inert atmosphere

With hydrogenchloride; aluminum (III) chloride; thionyl chloride; water; caesium carbonate; In dichloromethane; water; 1,2-dichloro-ethane; acetonitrile; 6: Friedel Crafts acylation;

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) → C42H49N3O5 (1346434-81-8)

Guidance literature:

Multi-step reaction with 5 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

5: aluminum (III) chloride / 1,2-dichloro-ethane / 1 h / 65 °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; 1,2-dichloro-ethane; acetonitrile; 2: Suzuki coupling / 5: Friedel Crafts acylation;

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