4-{(4S)-6-ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile

Base Information

Chemical Name:4-{(4S)-6-ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile
CAS No.:1164202-10-1
Molecular Formula:C₂₃H₁₉F₃N₄O₄S
Molecular Weight:504.489
Hs Code.:

Synonyms:4-{(4S)-6-ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile

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Chemical Property of 4-{(4S)-6-ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile

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Technology Process of 4-{(4S)-6-ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile

There total 6 articles about 4-{(4S)-6-ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)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: 84.0%

: 1164202-08-7
(rac)-4-{6-Ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile

: 1164202-10-1
4-{(4S)-6-ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile

: 4-{(4R)-6-ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile

Guidance literature:: With Daicel Chiralpak IC, 5 μm, 250 mm x 20 mm; In methanol; tert-butyl methyl ether; acetonitrile; at 30 ℃; Resolution of racemate;

Reference yield:

: 170572-49-3
2-fluoro-4-cyanotoluene

: 1164202-10-1
4-{(4S)-6-ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile

: 4-{(4R)-6-ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile

Guidance literature:: Multi-step reaction with 8 steps

1: N,N-dimethyl-formamide / 20 - 175 °C

2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 5 h / 10 - 20 °C

3: N,N-dimethyl-formamide / 7 h / 140 °C / Inert atmosphere

4: sodium periodate / water; tetrahydrofuran / 1 h / 20 °C

5: phosphorus pentoxide; triethyl phosphate / tert-butyl methyl ether / 50 °C / Inert atmosphere; Reflux

6: bromine / chloroform / 1 h / 0 - 20 °C

7: acetonitrile / 20 °C

8: Daicel Chiralpak IC, 5 μm, 250 mm x 20 mm / acetonitrile; tert-butyl methyl ether; methanol / 30 °C / Resolution of racemate

With sodium periodate; triethyl phosphate; phosphorus pentoxide; bromine; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; methanol; dichloromethane; tert-butyl methyl ether; chloroform; water; N,N-dimethyl-formamide; acetonitrile;

Reference yield:

: 1161921-92-1
4-[2-(dimethylamino)vinyl]-3-(methylsulfonyl)benzonitrile

: 1164202-10-1
4-{(4S)-6-ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile

: 4-{(4R)-6-ethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile

Guidance literature:: Multi-step reaction with 5 steps

1: sodium periodate / water; tetrahydrofuran / 1 h / 20 °C

2: phosphorus pentoxide; triethyl phosphate / tert-butyl methyl ether / 50 °C / Inert atmosphere; Reflux

3: bromine / chloroform / 1 h / 0 - 20 °C

4: acetonitrile / 20 °C

5: Daicel Chiralpak IC, 5 μm, 250 mm x 20 mm / acetonitrile; tert-butyl methyl ether; methanol / 30 °C / Resolution of racemate

With sodium periodate; triethyl phosphate; phosphorus pentoxide; bromine; In tetrahydrofuran; methanol; tert-butyl methyl ether; chloroform; water; acetonitrile;