methyl 3-((2-(4-fluorobenzylthio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazole-5-carboxylate

Base Information

• Chemical Name: methyl 3-((2-(4-fluorobenzylthio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazole-5-carboxylate
• CAS No.: 1417531-43-1
• Molecular Formula: C₃₄H₂₇F₄N₃O₄S
• Molecular Weight: 649.666
• Mol file: 1417531-43-1.mol

Synonyms:methyl 3-((2-(4-fluorobenzylthio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazole-5-carboxylate

Chemical Property of methyl 3-((2-(4-fluorobenzylthio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazole-5-carboxylate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 3-((2-(4-fluorobenzylthio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazole-5-carboxylate

There total 10 articles about methyl 3-((2-(4-fluorobenzylthio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazole-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:

methyl 3-((4-oxo-2-thioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazole-5-carboxylate (1417531-64-6) + 4-Fluorobenzyl bromide (459-46-1) → methyl 3-((2-(4-fluorobenzylthio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazole-5-carboxylate (1417531-43-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 1h;

Reference yield:

4-trifluoromethylphenylboronic acid (128796-39-4) → methyl 3-((2-(4-fluorobenzylthio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazole-5-carboxylate (1417531-43-1)

Guidance literature:

Multi-step reaction with 9 steps

1: palladium diacetate; sodium carbonate / 1,2-dimethoxyethane; water / 3 h / Inert atmosphere; Reflux

2: sodium tetrahydroborate; ethanol / 1 h / 20 °C / Cooling with ice

3: phosphorus tribromide / diethyl ether / 1.5 h / 20 °C / Cooling with ice

4: copper(l) iodide; tetra-(n-butyl)ammonium iodide; potassium carbonate / acetonitrile / 4 h / 40 °C / Inert atmosphere

5: triethylamine / N,N-dimethyl-formamide / 3 h / 70 °C / Inert atmosphere

6: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

7: tetraethoxy orthosilicate / methanol / 5 h / Reflux

8: N,N-dimethyl-formamide / 4 h / 140 °C

9: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 1 h / 20 °C

With sodium tetrahydroborate; copper(l) iodide; tetraethoxy orthosilicate; ethanol; palladium diacetate; phosphorus tribromide; tetra-(n-butyl)ammonium iodide; sodium carbonate; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; trifluoroacetic acid; In methanol; 1,2-dimethoxyethane; diethyl ether; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile;

Reference yield:

4-bromo-benzaldehyde (1122-91-4) → methyl 3-((2-(4-fluorobenzylthio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazole-5-carboxylate (1417531-43-1)

Guidance literature:

Multi-step reaction with 9 steps

1: palladium diacetate; sodium carbonate / 1,2-dimethoxyethane; water / 3 h / Inert atmosphere; Reflux

2: sodium tetrahydroborate; ethanol / 1 h / 20 °C / Cooling with ice

3: phosphorus tribromide / diethyl ether / 1.5 h / 20 °C / Cooling with ice

4: copper(l) iodide; tetra-(n-butyl)ammonium iodide; potassium carbonate / acetonitrile / 4 h / 40 °C / Inert atmosphere

5: triethylamine / N,N-dimethyl-formamide / 3 h / 70 °C / Inert atmosphere

6: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

7: tetraethoxy orthosilicate / methanol / 5 h / Reflux

8: N,N-dimethyl-formamide / 4 h / 140 °C

9: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 1 h / 20 °C

With sodium tetrahydroborate; copper(l) iodide; tetraethoxy orthosilicate; ethanol; palladium diacetate; phosphorus tribromide; tetra-(n-butyl)ammonium iodide; sodium carbonate; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; trifluoroacetic acid; In methanol; 1,2-dimethoxyethane; diethyl ether; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile;

upstream raw materials:

methyl 3-((4-oxo-2-thioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazole-5-carboxylate

4-Fluorobenzyl bromide

4-trifluoromethylphenylboronic acid

4-bromo-benzaldehyde

Downstream raw materials:

2-(4-fluorobenzylthio)-1-((5-(hydroxymethyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazol-3-yl)methyl)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-4(5H)-one

1-((5-(chloromethyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazol-3-yl)methyl)-2-(4-fluorobenzylthio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-4(5H)-one

1-((5-((diethylamino)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)isoxazol-3-yl)methyl)-2-(4-fluorobenzylthio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-4(5H)-one