4-(3-{4-[3-((R)-2-amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-piperazin-1-ylmethyl}-benzoylamino)-butyric acid

Base Information

• Chemical Name: 4-(3-{4-[3-((R)-2-amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-piperazin-1-ylmethyl}-benzoylamino)-butyric acid
• CAS No.: 1308378-89-3
• Molecular Formula: C₃₇H₄₀F₄N₆O₅
• Molecular Weight: 724.755
• Mol file: 1308378-89-3.mol

Synonyms:4-(3-{4-[3-((R)-2-amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-piperazin-1-ylmethyl}-benzoylamino)-butyric acid

Chemical Property of 4-(3-{4-[3-((R)-2-amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-piperazin-1-ylmethyl}-benzoylamino)-butyric acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(3-{4-[3-((R)-2-amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-piperazin-1-ylmethyl}-benzoylamino)-butyric acid

There total 5 articles about 4-(3-{4-[3-((R)-2-amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-piperazin-1-ylmethyl}-benzoylamino)-butyric 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: 26.0%

C42H48F4N6O7 → 4-(3-{4-[3-((R)-2-amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-piperazin-1-ylmethyl}-benzoylamino)-butyric acid (1308378-89-3)

Guidance literature:

C₄₂H₄₈F₄N₆O₇; With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 0.5h;

With sodium hydrogencarbonate; In dichloromethane; water;

Reference yield:

{(R)-2-[5-(4-benzyl-piperazin-1-yl)-3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester (1308375-89-4) → 4-(3-{4-[3-((R)-2-amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-piperazin-1-ylmethyl}-benzoylamino)-butyric acid (1308378-89-3)

Guidance literature:

Multi-step reaction with 6 steps

1: hydrogen / palladium 10% on activated carbon / methanol / 5 h / 20 °C / Inert atmosphere

2: triethylamine / dichloromethane / 1 h / 20 °C

3: sodium hydroxide; water / methanol / 1.5 h / 60 °C

4: N-ethyl-N,N-diisopropylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / N,N-dimethyl-formamide / 6 h / 20 °C

5: sodium hydroxide; water / ethanol / 0.5 h / 20 °C

6: trifluoroacetic acid / dichloromethane / 0.5 h / 0 - 20 °C

With water; hydrogen; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; sodium hydroxide; palladium 10% on activated carbon; In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

{(R)-2-[3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-5-piperazin-1-yl-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester (1308375-93-0) → 4-(3-{4-[3-((R)-2-amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-piperazin-1-ylmethyl}-benzoylamino)-butyric acid (1308378-89-3)

Guidance literature:

Multi-step reaction with 5 steps

1: triethylamine / dichloromethane / 1 h / 20 °C

2: sodium hydroxide; water / methanol / 1.5 h / 60 °C

3: N-ethyl-N,N-diisopropylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / N,N-dimethyl-formamide / 6 h / 20 °C

4: sodium hydroxide; water / ethanol / 0.5 h / 20 °C

5: trifluoroacetic acid / dichloromethane / 0.5 h / 0 - 20 °C

With water; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; sodium hydroxide; In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

{(R)-2-[5-(4-benzyl-piperazin-1-yl)-3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester

{(R)-2-[3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-5-piperazin-1-yl-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester

(R)-methyl 3-((4-(3-(2-((tert-butoxycarbonyl)amino)-2-phenylethyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)piperazin-1-yl)methyl)benzoate

{(R)-2-[5-bromo-3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester