4-(3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)-2-fluorobenzonitrile

Base Information

• Chemical Name: 4-(3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)-2-fluorobenzonitrile
• CAS No.: 1395795-41-1
• Molecular Formula: C₂₃H₂₉FN₄O₂
• Molecular Weight: 412.507

Synonyms:4-(3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)-2-fluorobenzonitrile

Chemical Property of 4-(3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)-2-fluorobenzonitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)-2-fluorobenzonitrile

There total 4 articles about 4-(3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)-2-fluorobenzonitrile 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:

1-(4-cyano-3-fluorophenyl)-(3,3-dimethylbutyl)methanesulfonate (1395795-31-9) + (S)-5-methyl-1-(piperidin-3-yl)-pyrimidine-2,4(1H,3H)-dione (1395795-26-2) → 4-(3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)-2-fluorobenzonitrile (1395795-41-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 70 ℃; for 20h;

DOI:10.1021/jm3011806

Reference yield:

2-fluoro-4-(1-hydroxy-3,3-dimethylbutyl)benzonitrile (1395795-38-6) → 4-(3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)-2-fluorobenzonitrile (1395795-41-1)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 4 h / 0 °C

2: N-ethyl-N,N-diisopropylamine / acetonitrile / 20 h / 70 °C

With triethylamine; N-ethyl-N,N-diisopropylamine; In dichloromethane; acetonitrile;

DOI:10.1021/jm3011806

Reference yield:

(S)-tert-butyl (3-3-(((2E)-3-methoxy-2-methylprop-2-enoyl)carbamoyl)amino)piperidine-1-carboxylate (1395795-28-4) → 4-(3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1-(2H)-yl)piperidin-1-yl)butyl)-2-fluorobenzonitrile (1395795-41-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / water; 1,4-dioxane / 16 h / 95 °C

2: N-ethyl-N,N-diisopropylamine / acetonitrile / 20 h / 70 °C

With sulfuric acid; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; water; acetonitrile;

DOI:10.1021/jm3011806

upstream raw materials:

1-(4-cyano-3-fluorophenyl)-(3,3-dimethylbutyl)methanesulfonate

(S)-5-methyl-1-(piperidin-3-yl)-pyrimidine-2,4(1H,3H)-dione

2-fluoro-4-(1-hydroxy-3,3-dimethylbutyl)benzonitrile

4-(3,3-dimethylbutanoyl)-2-fluorobenzonitrile

Downstream raw materials:

TK-666

C₂₉H₃₄BrN₃O₅

2-(3-bromophenoxy)-4-(3,3-dimethyl-1-((S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl)butyl)benzonitrile

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