N-(tert-butoxycarbonyl)-2-[1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]-2-amino-acetic acid

Base Information

• Chemical Name: N-(tert-butoxycarbonyl)-2-[1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]-2-amino-acetic acid
• CAS No.: 1415910-81-4
• Molecular Formula: C₂₅H₂₇FN₂O₆S
• Molecular Weight: 502.564
• Mol file: 1415910-81-4.mol

Synonyms:N-(tert-butoxycarbonyl)-2-[1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]-2-amino-acetic acid

Chemical Property of N-(tert-butoxycarbonyl)-2-[1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]-2-amino-acetic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(tert-butoxycarbonyl)-2-[1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]-2-amino-acetic acid

There total 7 articles about N-(tert-butoxycarbonyl)-2-[1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]-2-amino-acetic 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: 60.0%

ethyl N-tert-butoxycarbonyl-2-amino-2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulphonylphenyl)-1H-pyrrolo-3-yl]acetate (1363375-82-9) → N-(tert-butoxycarbonyl)-2-[1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]-2-amino-acetic acid (1415910-81-4)

Guidance literature:

With water; sodium hydroxide; In methanol; for 17h;

DOI:10.1016/j.ejmech.2012.10.014

Reference yield:

ethyl 2-[1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]glyoxylate → N-(tert-butoxycarbonyl)-2-[1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]-2-amino-acetic acid (1415910-81-4)

Guidance literature:

Multi-step reaction with 4 steps

1: hydroxylamine hydrochloride; sodium acetate / ethanol; 1,4-dioxane / 40 h / 90 °C

2: zinc; formic acid / ethanol / 0 - 20 °C

3: methanol / 18 h

4: sodium hydroxide; water / methanol / 17 h

With formic acid; hydroxylamine hydrochloride; water; sodium acetate; sodium hydroxide; zinc; In 1,4-dioxane; methanol; ethanol;

DOI:10.1016/j.ejmech.2012.10.014

Reference yield:

1-[4-(methylthio)phenyl]pentane-1,4-dione (189501-33-5) → N-(tert-butoxycarbonyl)-2-[1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]-2-amino-acetic acid (1415910-81-4)

Guidance literature:

Multi-step reaction with 7 steps

1: potassium peroxymonosulfate / methanol; water / 2 h

2: toluene-4-sulfonic acid / ethanol / 0.75 h / 160 °C / 7757.43 Torr / Microwave irradiation

3: titanium tetrachloride / dichloromethane / 4 h / 0 - 20 °C / Inert atmosphere

4: hydroxylamine hydrochloride; sodium acetate / ethanol; 1,4-dioxane / 40 h / 90 °C

5: zinc; formic acid / ethanol / 0 - 20 °C

6: methanol / 18 h

7: sodium hydroxide; water / methanol / 17 h

With potassium peroxymonosulfate; formic acid; hydroxylamine hydrochloride; water; sodium acetate; titanium tetrachloride; toluene-4-sulfonic acid; sodium hydroxide; zinc; In 1,4-dioxane; methanol; ethanol; dichloromethane; water;

DOI:10.1016/j.ejmech.2012.10.014

upstream raw materials:

1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrole

1-[4-(methylthio)phenyl]pentane-1,4-dione

1-[4-(methylsulfonyl)phenyl]pentane-1,4-dione

ethyl [2-amino-2-[1-(4-fluorophenyl)-2-methyl-5-(4-methanesulphonylphenyl)-1H-pyrrol-3-yl]]-acetate

Downstream raw materials:

3-(nitrooxy)propyl N-(tert-butoxycarbonyl)-2-(1-(4-fluorophenyl)-2-methyl-5-(4-(methylsulfonyl)phenyl)-1H-pyrrol-3-yl)-2-amino-acetate

4-(nitrooxy)butyl N-(tert-butoxycarbonyl)-2-(1-(4-fluorophenyl)-2-methyl-5-(4-(methylsulfonyl)phenyl)-1H-pyrrol-3-yl)-2-amino-acetate

3-(nitrooxy)propyl-[2-amino-2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulphonylphenyl)-1H-pyrrol-3-yl]]-acetate

4-(nitrooxy)butyl-[2-amino-2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulphonylphenyl)-1H-pyrrol-3-yl]]-acetate