3-{3-tert-butylsulfanyl-1-[4-(6-methoxypyridin-3-yl)benzyl]-5-(quinoxalin-2-ylmethoxy)-1H-indol-2-yl}-2,2-dimethylpropionic acid

Base Information

• Chemical Name: 3-{3-tert-butylsulfanyl-1-[4-(6-methoxypyridin-3-yl)benzyl]-5-(quinoxalin-2-ylmethoxy)-1H-indol-2-yl}-2,2-dimethylpropionic acid
• CAS No.: 950698-97-2
• Molecular Formula: C₃₉H₄₀N₄O₄S
• Molecular Weight: 660.837
• Mol file: 950698-97-2.mol

Synonyms:3-{3-tert-butylsulfanyl-1-[4-(6-methoxypyridin-3-yl)benzyl]-5-(quinoxalin-2-ylmethoxy)-1H-indol-2-yl}-2,2-dimethylpropionic acid

Chemical Property of 3-{3-tert-butylsulfanyl-1-[4-(6-methoxypyridin-3-yl)benzyl]-5-(quinoxalin-2-ylmethoxy)-1H-indol-2-yl}-2,2-dimethylpropionic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-{3-tert-butylsulfanyl-1-[4-(6-methoxypyridin-3-yl)benzyl]-5-(quinoxalin-2-ylmethoxy)-1H-indol-2-yl}-2,2-dimethylpropionic acid

There total 5 articles about 3-{3-tert-butylsulfanyl-1-[4-(6-methoxypyridin-3-yl)benzyl]-5-(quinoxalin-2-ylmethoxy)-1H-indol-2-yl}-2,2-dimethylpropionic 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: 97.0%

3-[3-tert-butylsulfanyl-1-[4-(6-methoxypyridin-3-yl)benzyl]-5-(quinoxalin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropionicacid ethyl ester (1346434-78-3) → 3-{3-tert-butylsulfanyl-1-[4-(6-methoxypyridin-3-yl)benzyl]-5-(quinoxalin-2-ylmethoxy)-1H-indol-2-yl}-2,2-dimethylpropionic acid (950698-97-2)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; methanol; water; at 60 ℃; for 4h; Inert atmosphere;

DOI:10.1021/jm2008369

Reference yield:

2-methylquinoxaline (7251-61-8) → 3-{3-tert-butylsulfanyl-1-[4-(6-methoxypyridin-3-yl)benzyl]-5-(quinoxalin-2-ylmethoxy)-1H-indol-2-yl}-2,2-dimethylpropionic acid (950698-97-2)

Guidance literature:

Multi-step reaction with 3 steps

1: trichloroisocyanuric acid / chloroform / 1.5 h / Inert atmosphere; Reflux

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

3: lithium hydroxide monohydrate / tetrahydrofuran; methanol; water / 4 h / 60 °C / Inert atmosphere

With lithium hydroxide monohydrate; trichloroisocyanuric acid; caesium carbonate; In tetrahydrofuran; methanol; chloroform; water; acetonitrile;

DOI:10.1021/jm2008369

Reference yield:

3-{3-tert-butylsulfanyl-5-hydroxy-1-[4-(4,4,5,5-tetramethyl-1-[1,3,2]dioxaborolan-2-yl)benzyl]-1H-indol-2-yl}-2,2-dimethylpropionic acid ethyl ester → 3-{3-tert-butylsulfanyl-1-[4-(6-methoxypyridin-3-yl)benzyl]-5-(quinoxalin-2-ylmethoxy)-1H-indol-2-yl}-2,2-dimethylpropionic acid (950698-97-2)

Guidance literature:

Multi-step reaction with 3 steps

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

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

3: lithium hydroxide monohydrate / tetrahydrofuran; methanol; water / 4 h / 60 °C / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; lithium hydroxide monohydrate; potassium carbonate; caesium carbonate; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; water; acetonitrile; 1: Suzuki coupling;

DOI:10.1021/jm2008369

upstream raw materials:

2-methylquinoxaline

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

2-chloromethyl-quinoxaline

3-[3-tert-butylsulfanyl-1-[4-(6-methoxypyridin-3-yl)benzyl]-5-(quinoxalin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropionicacid ethyl ester