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

Base Information

• Chemical Name: 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
• CAS No.: 1196965-16-8
• Molecular Formula: C₄₀H₄₇N₃O₄S
• Molecular Weight: 665.897
• Mol file: 1196965-16-8.mol

Synonyms: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

Chemical Property of 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

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 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

There total 14 articles about 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 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: 75.0%

2-(ethyloxy)-5-(4-{[1-(4-{[(5-methylpyridin-2-yl)methyl]oxy}phenyl)hydrazino]methyl}phenyl)pyridine (1300640-30-5) + ethyl 5-t-butylthio-2,2-dimethyl-4-oxo-pentanoate (136558-13-9) → 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)

Guidance literature:

With rac-tartaric acid dibenzoate; In isopropyl alcohol; at 25 - 45 ℃; for 16h; Product distribution / selectivity; Industry scale;

Reference yield:

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 (1196965-14-6) + 2-chloro-5-methyl-pyridine hydrochloride (212889-75-3) → 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)

Guidance literature:

With caesium carbonate; In acetonitrile; at 30 - 80 ℃; for 6h; Inert atmosphere; Industry scale;

Reference yield:

p-hydroxymethylphenylboronic acid (59016-93-2) → 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)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium carbonate / palladium 10% on activated carbon / ethanol; water / 5 h / 63 °C / Industry scale; Inert atmosphere; Reflux

2.1: hydrogen bromide / water / 9 h / 20 - 47 °C / Industry scale

2.2: Industry scale

3.1: sodium hydroxide / isopropyl alcohol / 2 h / 18 °C

4.1: rac-tartaric acid dibenzoate / isopropyl alcohol / 16 h / 25 - 45 °C / Industry scale

With rac-tartaric acid dibenzoate; hydrogen bromide; sodium carbonate; sodium hydroxide; palladium 10% on activated carbon; In ethanol; water; isopropyl alcohol;

upstream raw materials:

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

2-chloro-5-methyl-pyridine hydrochloride

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

Downstream raw materials:

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

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

C₃₆H₃₉N₃O₄

C₄₂H₄₉N₃O₅