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

Base Information

Chemical Name: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
CAS No.:1417527-49-1
Molecular Formula:C₃₄H₃₂F₄N₆OS
Molecular Weight:648.727
Hs Code.:

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

Synonyms: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

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Chemical Property of 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

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Technology Process of 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

There total 13 articles about 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 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: 66.0%

: 1417527-48-0
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

: 506-59-2
N,N-dimethylammonium chloride

: 1417527-49-1
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

Guidance literature:: With sodium tris(acetoxy)borohydride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 2h;
DOI:10.1016/j.bmcl.2013.01.029

Reference yield:

: 2076-56-4
4-bromobenzyl isothiocyanate

: 1417527-49-1
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

Guidance literature:: Multi-step reaction with 11 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

10.1: manganese(IV) oxide / 1,4-dioxane / 3 h / 70 °C

11.1: sodium tris(acetoxy)borohydride; N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 20 °C

With manganese(IV) oxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetraethoxy orthosilicate; palladium 10% on activated carbon; diphenylphosphoranyl azide; water; hydrogen; dihydrogen peroxide; sodium tris(acetoxy)borohydride; potassium carbonate; caesium carbonate; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; 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:

: 1417528-40-5
(4-(4-bromobenzyl)-4H-1,2,4-triazol-3-yl)methanol

: 1417527-49-1
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

Guidance literature:: Multi-step reaction with 9 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

8: manganese(IV) oxide / 1,4-dioxane / 3 h / 70 °C

9: sodium tris(acetoxy)borohydride; N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 20 °C

With manganese(IV) oxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetraethoxy orthosilicate; palladium 10% on activated carbon; diphenylphosphoranyl azide; water; hydrogen; sodium tris(acetoxy)borohydride; caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; potassium iodide; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/j.bmcl.2013.01.029