ethyl (4R)-4-(4-cyanophenyl)-3-[2-(dimethylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Base Information

• Chemical Name: ethyl (4R)-4-(4-cyanophenyl)-3-[2-(dimethylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• CAS No.: 1194454-38-0
• Molecular Formula: C₂₆H₂₅F₃N₄O₄
• Molecular Weight: 514.504

Synonyms:ethyl (4R)-4-(4-cyanophenyl)-3-[2-(dimethylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Chemical Property of ethyl (4R)-4-(4-cyanophenyl)-3-[2-(dimethylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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Technology Process of ethyl (4R)-4-(4-cyanophenyl)-3-[2-(dimethylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

There total 7 articles about ethyl (4R)-4-(4-cyanophenyl)-3-[2-(dimethylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate 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: 77.0%

{(6R)-6-(4-cyanophenyl)-5-(ethoxycarbonyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidin-1(2H)-yl}acetic acid (904958-43-6) + dimethyl amine (124-40-3) → ethyl (4R)-4-(4-cyanophenyl)-3-[2-(dimethylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate (1194454-38-0)

Guidance literature:

With dmap; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃;

Reference yield:

4-cyanobenzaldehyde (105-07-7) → ethyl (4R)-4-(4-cyanophenyl)-3-[2-(dimethylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate (1194454-38-0)

Guidance literature:

Multi-step reaction with 5 steps

1: hydrogenchloride / water; tetrahydrofuran / 18 h / Reflux

2: KBD 6371 / methanol; ethyl acetate / 24 °C / Resolution of racemate

3: potassium carbonate / N,N-dimethyl-formamide / 23 h / 20 - 60 °C / Inert atmosphere

4: trifluoroacetic acid / dichloromethane / 4 h / 20 °C

5: dmap; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide; tetrahydrofuran / 20 °C

With hydrogenchloride; dmap; potassium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1002/cmdc.201500131

Reference yield:

N-(3-trifluoromethylphenyl)urea (13114-87-9) → ethyl (4R)-4-(4-cyanophenyl)-3-[2-(dimethylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate (1194454-38-0)

Guidance literature:

Multi-step reaction with 5 steps

1: hydrogenchloride / water; tetrahydrofuran / 18 h / Reflux

2: KBD 6371 / methanol; ethyl acetate / 24 °C / Resolution of racemate

3: potassium carbonate / N,N-dimethyl-formamide / 23 h / 20 - 60 °C / Inert atmosphere

4: trifluoroacetic acid / dichloromethane / 4 h / 20 °C

5: dmap; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide; tetrahydrofuran / 20 °C

With hydrogenchloride; dmap; potassium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1002/cmdc.201500131

upstream raw materials:

{(6R)-6-(4-cyanophenyl)-5-(ethoxycarbonyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidin-1(2H)-yl}acetic acid

dimethyl amine

ethyl (4R)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

ethyl (rac)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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