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

Base Information

• Chemical Name: 2-(4-fluorobenzylthio)-1-((5-(hydroxymethyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-4(5H)-one
• CAS No.: 1417527-46-8
• Molecular Formula: C₃₂H₂₇F₄N₅O₂S
• Molecular Weight: 621.658

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

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

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

4-bromobenzyl isothiocyanate (2076-56-4) → 2-(4-fluorobenzylthio)-1-((5-(hydroxymethyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-4(5H)-one (1417527-46-8)

Guidance literature:

Multi-step reaction with 9 steps

1.1: potassium carbonate / ethanol / 2 h / Reflux

1.2: 1 h / Reflux

2.1: acetic acid; dihydrogen peroxide / water; dichloromethane / 1.5 h / 20 - 35 °C

3.1: caesium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane / 18 h / Reflux

4.1: diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 3 h / Reflux

5.1: hydrogen; palladium 10% on activated carbon / ethanol / 12 h / 20 °C / 760.05 Torr

6.1: tetraethoxy orthosilicate / ethanol / 5 h / Reflux

7.1: N,N-dimethyl-formamide / 4 h / 140 °C / Inert atmosphere

8.1: water / 1,4-dioxane / 8 h / Reflux

9.1: potassium iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 5 h / 20 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetraethoxy orthosilicate; palladium 10% on activated carbon; diphenylphosphoranyl azide; water; hydrogen; dihydrogen peroxide; potassium carbonate; caesium carbonate; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; potassium iodide; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1016/j.bmcl.2013.01.029

Reference yield:

(4-(4-bromobenzyl)-5-mercapto-4H-1,2,4-triazol-3-yl)methanol (1417528-38-1) → 2-(4-fluorobenzylthio)-1-((5-(hydroxymethyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-4(5H)-one (1417527-46-8)

Guidance literature:

Multi-step reaction with 8 steps

1: acetic acid; dihydrogen peroxide / water; dichloromethane / 1.5 h / 20 - 35 °C

2: caesium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane / 18 h / Reflux

3: diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 3 h / Reflux

4: hydrogen; palladium 10% on activated carbon / ethanol / 12 h / 20 °C / 760.05 Torr

5: tetraethoxy orthosilicate / ethanol / 5 h / Reflux

6: N,N-dimethyl-formamide / 4 h / 140 °C / Inert atmosphere

7: water / 1,4-dioxane / 8 h / Reflux

8: potassium iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 5 h / 20 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetraethoxy orthosilicate; palladium 10% on activated carbon; diphenylphosphoranyl azide; water; hydrogen; dihydrogen peroxide; caesium carbonate; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; potassium iodide; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1016/j.bmcl.2013.01.029

Reference yield:

(4-(4-bromobenzyl)-4H-1,2,4-triazol-3-yl)methanol (1417528-40-5) → 2-(4-fluorobenzylthio)-1-((5-(hydroxymethyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-4(5H)-one (1417527-46-8)

Guidance literature:

Multi-step reaction with 7 steps

1: caesium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane / 18 h / Reflux

2: diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 3 h / Reflux

3: hydrogen; palladium 10% on activated carbon / ethanol / 12 h / 20 °C / 760.05 Torr

4: tetraethoxy orthosilicate / ethanol / 5 h / Reflux

5: N,N-dimethyl-formamide / 4 h / 140 °C / Inert atmosphere

6: water / 1,4-dioxane / 8 h / Reflux

7: potassium iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 5 h / 20 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetraethoxy orthosilicate; palladium 10% on activated carbon; diphenylphosphoranyl azide; water; hydrogen; caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; potassium iodide; In tetrahydrofuran; 1,4-dioxane; ethanol; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1016/j.bmcl.2013.01.029

upstream raw materials:

4-bromobenzyl isothiocyanate

(4-(4-bromobenzyl)-5-mercapto-4H-1,2,4-triazol-3-yl)methanol

(4-(4-bromobenzyl)-4H-1,2,4-triazol-3-yl)methanol

(4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methanol

Downstream raw materials:

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

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

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

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