(±)-5-{3-[2-cyclohexyl-4-(1H-1,2,3-triazol-1-ylmethyl)-1H-imidazol-1-yl]prop-1-yn-1-yl}-1-(tetrahydrothien-2-yl)cytosine

Base Information

Chemical Name:(±)-5-{3-[2-cyclohexyl-4-(1H-1,2,3-triazol-1-ylmethyl)-1H-imidazol-1-yl]prop-1-yn-1-yl}-1-(tetrahydrothien-2-yl)cytosine
CAS No.:1452819-79-2
Molecular Formula:C₂₃H₂₈N₈OS
Molecular Weight:464.594
Hs Code.:

Synonyms:(±)-5-{3-[2-cyclohexyl-4-(1H-1,2,3-triazol-1-ylmethyl)-1H-imidazol-1-yl]prop-1-yn-1-yl}-1-(tetrahydrothien-2-yl)cytosine

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Chemical Property of (±)-5-{3-[2-cyclohexyl-4-(1H-1,2,3-triazol-1-ylmethyl)-1H-imidazol-1-yl]prop-1-yn-1-yl}-1-(tetrahydrothien-2-yl)cytosine

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Technology Process of (±)-5-{3-[2-cyclohexyl-4-(1H-1,2,3-triazol-1-ylmethyl)-1H-imidazol-1-yl]prop-1-yn-1-yl}-1-(tetrahydrothien-2-yl)cytosine

There total 11 articles about (±)-5-{3-[2-cyclohexyl-4-(1H-1,2,3-triazol-1-ylmethyl)-1H-imidazol-1-yl]prop-1-yn-1-yl}-1-(tetrahydrothien-2-yl)cytosine 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: 29.0%

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

: 1452819-77-0
1-{[2-cyclohexyl-1-(prop-2-yn-1-yl)-1H-imidazol-4-yl]methyl}-1H-1,2,3-triazole

: 1452819-79-2
(±)-5-{3-[2-cyclohexyl-4-(1H-1,2,3-triazol-1-ylmethyl)-1H-imidazol-1-yl]prop-1-yn-1-yl}-1-(tetrahydrothien-2-yl)cytosine

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 25 ℃; for 6h; Inert atmosphere;
DOI:10.1002/ejoc.201201467

Reference yield:

: 2043-61-0
cyclohexanecarbaldehyde

: 1452819-79-2
(±)-5-{3-[2-cyclohexyl-4-(1H-1,2,3-triazol-1-ylmethyl)-1H-imidazol-1-yl]prop-1-yn-1-yl}-1-(tetrahydrothien-2-yl)cytosine

Guidance literature:: Multi-step reaction with 11 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: caesium carbonate / N,N-dimethyl-formamide / 14.5 h / 0 - 25 °C / Inert atmosphere

6.1: sodium tetrahydroborate / methanol / 3 h / 0 - 25 °C / Inert atmosphere

7.1: thionyl chloride / 3 h / 25 °C / Inert atmosphere

8.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 1 h / 0 - 25 °C / Inert atmosphere

8.2: 72 h / 25 °C / Inert atmosphere

9.1: palladium 10% on activated carbon; hydrogen / tetrahydrofuran; methanol / 20 h / 25 °C / 760.05 Torr

10.1: caesium carbonate / N,N-dimethyl-formamide / 8.5 h / 25 °C / Inert atmosphere

11.1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 6 h / 25 °C / Inert atmosphere

With hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; sodium tetrahydroborate; copper(l) iodide; n-butyllithium; thionyl chloride; palladium 10% on activated carbon; hydrogen; sodium hydride; ammonium bicarbonate; caesium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; hexane; dichloromethane; water; N,N-dimethyl-formamide; mineral oil; 11.1: |Sonogashira Cross-Coupling;
DOI:10.1002/ejoc.201201467

Reference yield:

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

: 1452819-79-2
(±)-5-{3-[2-cyclohexyl-4-(1H-1,2,3-triazol-1-ylmethyl)-1H-imidazol-1-yl]prop-1-yn-1-yl}-1-(tetrahydrothien-2-yl)cytosine

Guidance literature:: Multi-step reaction with 10 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: caesium carbonate / N,N-dimethyl-formamide / 14.5 h / 0 - 25 °C / Inert atmosphere

5.1: sodium tetrahydroborate / methanol / 3 h / 0 - 25 °C / Inert atmosphere

6.1: thionyl chloride / 3 h / 25 °C / Inert atmosphere

7.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 1 h / 0 - 25 °C / Inert atmosphere

7.2: 72 h / 25 °C / Inert atmosphere

8.1: palladium 10% on activated carbon; hydrogen / tetrahydrofuran; methanol / 20 h / 25 °C / 760.05 Torr

9.1: caesium carbonate / N,N-dimethyl-formamide / 8.5 h / 25 °C / Inert atmosphere

10.1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 6 h / 25 °C / Inert atmosphere

With hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; sodium tetrahydroborate; copper(l) iodide; n-butyllithium; thionyl chloride; palladium 10% on activated carbon; hydrogen; sodium hydride; caesium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; hexane; dichloromethane; water; N,N-dimethyl-formamide; mineral oil; 10.1: |Sonogashira Cross-Coupling;
DOI:10.1002/ejoc.201201467