1-(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-triazol-3-yl)-N,N,N-trimethylmethanaminium bromide

Base Information

Chemical Name:1-(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-triazol-3-yl)-N,N,N-trimethylmethanaminium bromide
CAS No.:1417527-52-6
Molecular Formula:Br*C₃₅H₃₅F₄N₆OS
Molecular Weight:743.666
Hs Code.:

1-(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-triazol-3-yl)-N,N,N-trimethylmethanaminium bromide

Synonyms:1-(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-triazol-3-yl)-N,N,N-trimethylmethanaminium bromide

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Chemical Property of 1-(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-triazol-3-yl)-N,N,N-trimethylmethanaminium bromide

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Technology Process of 1-(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-triazol-3-yl)-N,N,N-trimethylmethanaminium bromide

There total 13 articles about 1-(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-triazol-3-yl)-N,N,N-trimethylmethanaminium bromide 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:

: 74-83-9
methyl bromide

: 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

: 1417527-52-6
1-(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-triazol-3-yl)-N,N,N-trimethylmethanaminium bromide

Guidance literature:: In acetone; at -5 ℃;
DOI:10.1016/j.bmcl.2013.01.029

Reference yield:

: 2076-56-4
4-bromobenzyl isothiocyanate

: 1417527-52-6
1-(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-triazol-3-yl)-N,N,N-trimethylmethanaminium bromide

Guidance literature:: Multi-step reaction with 12 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

12.1: acetone / -5 °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; acetone; 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

: 1417527-52-6
1-(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-triazol-3-yl)-N,N,N-trimethylmethanaminium bromide

Guidance literature:: Multi-step reaction with 10 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

10: acetone / -5 °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; acetone; acetonitrile;
DOI:10.1016/j.bmcl.2013.01.029