3-{4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid ethyl ester

Base Information

• Chemical Name: 3-{4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid ethyl ester
• CAS No.: 872259-69-3
• Molecular Formula: C₂₅H₂₉BrF₃NO₃S
• Molecular Weight: 560.475
• Mol file: 872259-69-3.mol

Synonyms:3-{4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid ethyl ester

Chemical Property of 3-{4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid ethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-{4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid ethyl ester

There total 5 articles about 3-{4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-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:

4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoic acid (872259-68-2) + ethyl β-alaninate hydrochloride (4244-84-2) → 3-{4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid ethyl ester (872259-69-3)

Guidance literature:

4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoic acid; With 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; In dichloromethane; at 20 ℃;

ethyl β-alaninate hydrochloride; In dichloromethane; at 20 ℃; Product distribution / selectivity;

Reference yield:

4-bromo-3,5-dimethylphenol (7463-51-6) → 3-{4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid ethyl ester (872259-69-3)

Guidance literature:

Multi-step reaction with 6 steps

1.1: triethylamine / dmap / 1,4-dioxane / 20 h / Heating / reflux

2.1: tetradecane / Heating / reflux

3.1: sodium methylate / methanol / 20 h / Heating / reflux

4.1: tributylphosphine; 1,1'-azodicarbonyl-dipiperidine / toluene / 0 - 20 °C

5.1: sodium hydroxide; water / tetrahydrofuran

6.1: 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine / dichloromethane / 20 °C

6.2: 20 °C

With 4-methyl-morpholine; sodium hydroxide; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; tributylphosphine; water; sodium methylate; triethylamine; 1,1'-azodicarbonyl-dipiperidine; dmap; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; tetradecane; toluene; 4.1: Mitsunobu reaction;

Reference yield:

4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoic acid methyl ester (872259-67-1) → 3-{4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid ethyl ester (872259-69-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide; water / tetrahydrofuran

2.1: 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine / dichloromethane / 20 °C

2.2: 20 °C

With 4-methyl-morpholine; sodium hydroxide; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; water; In tetrahydrofuran; dichloromethane;

upstream raw materials:

4-[1-(4-bromo-3,5-dimethyl-phenylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoic acid

ethyl β-alaninate hydrochloride

dimethyl-thiocarbamic acid O-(4-bromo-3,5-dimethyl-phenyl) ester

dimethyl-thiocarbamic acid S-(4-bromo-3,5-dimethyl-phenyl) ester

Downstream raw materials:

3-{4-[1-(2,6-dimethyl-4'-trifluoromethyl-biphenyl-4-ylsulfanyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid ethyl ester