3-(6-(2-mercaptoethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-yl)benzonitrile

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Chemical Name:3-(6-(2-mercaptoethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-yl)benzonitrile
CAS No.:1614252-40-2
Molecular Formula:C₁₇H₁₆N₄O₂S
Molecular Weight:340.406
Hs Code.:

Synonyms:3-(6-(2-mercaptoethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-yl)benzonitrile

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Chemical Property of 3-(6-(2-mercaptoethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-yl)benzonitrile

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Technology Process of 3-(6-(2-mercaptoethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-yl)benzonitrile

There total 5 articles about 3-(6-(2-mercaptoethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-yl)benzonitrile 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:

: 1614252-68-4
3-(1,3-dimethyl-2,4-dioxo-6-(2-(tritylthio)ethyl)-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-yl)benzonitrile

: 1614252-40-2
3-(6-(2-mercaptoethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-yl)benzonitrile

Guidance literature:: With triethylsilane; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

Reference yield:

: 874-14-6,156398-76-4
1,3-dimethyluracil

: 1614252-40-2
3-(6-(2-mercaptoethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-yl)benzonitrile

Guidance literature:: Multi-step reaction with 5 steps

1.1: potassium tert-butylate / 2-methyltetrahydrofuran / 0.67 h / 0 - 30 °C / Inert atmosphere

2.1: potassium iodide; caesium carbonate / N,N-dimethyl acetamide / 41.7 h / 50 °C / Inert atmosphere

3.1: lithium diisopropyl amide / tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere

3.2: 2 h / -78 °C

4.1: dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); barium dihydroxide / acetic acid butyl ester; water / 1.5 h / 80 °C

5.1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h / 20 °C / Inert atmosphere

With triethylsilane; barium dihydroxide; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); potassium tert-butylate; caesium carbonate; trifluoroacetic acid; potassium iodide; lithium diisopropyl amide; In tetrahydrofuran; 2-methyltetrahydrofuran; dichloromethane; N,N-dimethyl acetamide; acetic acid butyl ester; water;

Reference yield:

: 1614252-39-9
1,3-dimethyl-6-(2-(tritylthio)ethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

: 1614252-40-2
3-(6-(2-mercaptoethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-yl)benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere

1.2: 2 h / -78 °C

2.1: dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); barium dihydroxide / acetic acid butyl ester; water / 1.5 h / 80 °C

3.1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h / 20 °C / Inert atmosphere

With triethylsilane; barium dihydroxide; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); trifluoroacetic acid; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane; acetic acid butyl ester; water;