1H-Imidazole-5-carboxylicacid,2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4-[2-(2,2,2-trifluoroacetyl)-1H-pyrrol-1-yl]-

Base Information

• Chemical Name: 1H-Imidazole-5-carboxylicacid,2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4-[2-(2,2,2-trifluoroacetyl)-1H-pyrrol-1-yl]-
• CAS No.: 150438-02-1
• Molecular Formula: C27H22 F3 N7 O3
• Molecular Weight: 549.512
• Mol file: 150438-02-1.mol

Synonyms:1H-Imidazole-5-carboxylicacid,2-propyl-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4-[2-(trifluoroacetyl)-1H-pyrrol-1-yl]-(9CI); CI 996

Chemical Property of 1H-Imidazole-5-carboxylicacid,2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4-[2-(2,2,2-trifluoroacetyl)-1H-pyrrol-1-yl]-

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Imidazole-5-carboxylicacid,2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4-[2-(2,2,2-trifluoroacetyl)-1H-pyrrol-1-yl]-

There total 19 articles about 1H-Imidazole-5-carboxylicacid,2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4-[2-(2,2,2-trifluoroacetyl)-1H-pyrrol-1-yl]- 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: 98.0%

2-Propyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-5-[2-(2,2,2-trifluoro-acetyl)-pyrrol-1-yl]-3H-imidazole-4-carboxylic acid methyl ester (150438-01-0) → CI 996 (150438-02-1)

Guidance literature:

With water; potassium carbonate; In N,N-dimethyl-formamide; for 48h;

DOI:10.1021/jm00068a002

Reference yield:

methyl N-cyanobutyrimidate → CI 996 (150438-02-1)

Guidance literature:

Multi-step reaction with 7 steps

1: 370 g / Et₃N / methanol / 17 h / 20 °C

2: 38 percent / NaOMe / methanol / 1.) RT, 1 h, 2.) reflux, 1 h

3: 46 percent / NaOAc, HOAc / 0.33 h / Heating

4: 62 percent / CH₂Cl₂ / 18 h / Ambient temperature

5: 67 percent / Cs₂CO₃ / dimethylformamide / 6 h

6: 10percent aq. citric acid / methanol / 4 h

7: 98 percent / K₂CO₃, water / dimethylformamide / 48 h

With water; sodium methylate; sodium acetate; potassium carbonate; caesium carbonate; acetic acid; triethylamine; citric acid; In methanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm00068a002

Reference yield:

methyl N-(N'-cyanobutyrimidoyl)glycinate (150437-95-9) → CI 996 (150438-02-1)

Guidance literature:

Multi-step reaction with 6 steps

1: 38 percent / NaOMe / methanol / 1.) RT, 1 h, 2.) reflux, 1 h

2: 46 percent / NaOAc, HOAc / 0.33 h / Heating

3: 62 percent / CH₂Cl₂ / 18 h / Ambient temperature

4: 67 percent / Cs₂CO₃ / dimethylformamide / 6 h

5: 10percent aq. citric acid / methanol / 4 h

6: 98 percent / K₂CO₃, water / dimethylformamide / 48 h

With water; sodium methylate; sodium acetate; potassium carbonate; caesium carbonate; acetic acid; citric acid; In methanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm00068a002

upstream raw materials:

2-Propyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-5-[2-(2,2,2-trifluoro-acetyl)-pyrrol-1-yl]-3H-imidazole-4-carboxylic acid methyl ester

2-Propyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-5-[2-(2,2,2-trifluoro-acetyl)-pyrrol-1-yl]-3H-imidazole-4-carboxylic acid ethyl ester

4-iodobenzoic acid

1.4-dibromobenzene