(±)-3-(1-{3-[4-amino-2-oxo-1-(tetrahydrothien-2-yl)-1,2-dihydropyrimidin-5-yl]prop-2-yn-1-yl}-2-cyclohexyl-1H-imidazol-4-yl)propanenitrile

Base Information

Chemical Name:(±)-3-(1-{3-[4-amino-2-oxo-1-(tetrahydrothien-2-yl)-1,2-dihydropyrimidin-5-yl]prop-2-yn-1-yl}-2-cyclohexyl-1H-imidazol-4-yl)propanenitrile
CAS No.:1452819-40-7
Molecular Formula:C₂₃H₂₈N₆OS
Molecular Weight:436.581
Hs Code.:

Synonyms:(±)-3-(1-{3-[4-amino-2-oxo-1-(tetrahydrothien-2-yl)-1,2-dihydropyrimidin-5-yl]prop-2-yn-1-yl}-2-cyclohexyl-1H-imidazol-4-yl)propanenitrile

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Chemical Property of (±)-3-(1-{3-[4-amino-2-oxo-1-(tetrahydrothien-2-yl)-1,2-dihydropyrimidin-5-yl]prop-2-yn-1-yl}-2-cyclohexyl-1H-imidazol-4-yl)propanenitrile

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Technology Process of (±)-3-(1-{3-[4-amino-2-oxo-1-(tetrahydrothien-2-yl)-1,2-dihydropyrimidin-5-yl]prop-2-yn-1-yl}-2-cyclohexyl-1H-imidazol-4-yl)propanenitrile

There total 8 articles about (±)-3-(1-{3-[4-amino-2-oxo-1-(tetrahydrothien-2-yl)-1,2-dihydropyrimidin-5-yl]prop-2-yn-1-yl}-2-cyclohexyl-1H-imidazol-4-yl)propanenitrile 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: 64.0%

: 945980-58-5
(±)-5-iodo-1-(tetrahydrothien-2-yl)cytosine

: 1452819-37-2
3-[2-cyclohexyl-1-(prop-2-yn-1-yl)-1H-imidazol-4-yl]propanenitrile

: 1452819-40-7
(±)-3-(1-{3-[4-amino-2-oxo-1-(tetrahydrothien-2-yl)-1,2-dihydropyrimidin-5-yl]prop-2-yn-1-yl}-2-cyclohexyl-1H-imidazol-4-yl)propanenitrile

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 25 ℃; for 23h; Inert atmosphere;
DOI:10.1002/ejoc.201201467

Reference yield:

: 2043-61-0
cyclohexanecarbaldehyde

: 1452819-40-7
(±)-3-(1-{3-[4-amino-2-oxo-1-(tetrahydrothien-2-yl)-1,2-dihydropyrimidin-5-yl]prop-2-yn-1-yl}-2-cyclohexyl-1H-imidazol-4-yl)propanenitrile

Guidance literature:: Multi-step reaction with 8 steps

1.1: ammonium bicarbonate / water / 18 h / 25 °C / Inert atmosphere

2.1: triethylamine / dichloromethane / 14 h / 25 °C / Inert atmosphere

3.1: n-butyllithium / tetrahydrofuran; hexane / 1.42 h / -78 °C / Inert atmosphere

3.2: 3 h / -78 - 25 °C / Inert atmosphere

4.1: hydrogenchloride / water / 2 h / 25 °C / Inert atmosphere

5.1: potassium tert-butylate / tetrahydrofuran / 1 h / 0 - 25 °C / Inert atmosphere

5.2: 15 h / 25 °C / Inert atmosphere

6.1: palladium 10% on activated carbon; hydrogen / tetrahydrofuran; methanol / 7 h / 25 °C / 760.05 Torr

7.1: caesium carbonate / N,N-dimethyl-formamide / 50.5 h / 0 - 25 °C / Inert atmosphere

8.1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 23 h / 25 °C / Inert atmosphere

With hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; n-butyllithium; palladium 10% on activated carbon; potassium tert-butylate; hydrogen; ammonium bicarbonate; caesium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; hexane; dichloromethane; water; N,N-dimethyl-formamide; 5.1: |Horner-Wadsworth-Emmons Olefination / 5.2: |Horner-Wadsworth-Emmons Olefination / 8.1: |Sonogashira Cross-Coupling;
DOI:10.1002/ejoc.201201467

Reference yield:

: 14085-43-9
2-cyclohexyl-1H-imidazole

: 1452819-40-7
(±)-3-(1-{3-[4-amino-2-oxo-1-(tetrahydrothien-2-yl)-1,2-dihydropyrimidin-5-yl]prop-2-yn-1-yl}-2-cyclohexyl-1H-imidazol-4-yl)propanenitrile

Guidance literature:: Multi-step reaction with 7 steps

1.1: triethylamine / dichloromethane / 14 h / 25 °C / Inert atmosphere

2.1: n-butyllithium / tetrahydrofuran; hexane / 1.42 h / -78 °C / Inert atmosphere

2.2: 3 h / -78 - 25 °C / Inert atmosphere

3.1: hydrogenchloride / water / 2 h / 25 °C / Inert atmosphere

4.1: potassium tert-butylate / tetrahydrofuran / 1 h / 0 - 25 °C / Inert atmosphere

4.2: 15 h / 25 °C / Inert atmosphere

5.1: palladium 10% on activated carbon; hydrogen / tetrahydrofuran; methanol / 7 h / 25 °C / 760.05 Torr

6.1: caesium carbonate / N,N-dimethyl-formamide / 50.5 h / 0 - 25 °C / Inert atmosphere

7.1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 23 h / 25 °C / Inert atmosphere

With hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; n-butyllithium; palladium 10% on activated carbon; potassium tert-butylate; hydrogen; caesium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; hexane; dichloromethane; water; N,N-dimethyl-formamide; 4.1: |Horner-Wadsworth-Emmons Olefination / 4.2: |Horner-Wadsworth-Emmons Olefination / 7.1: |Sonogashira Cross-Coupling;
DOI:10.1002/ejoc.201201467