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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 2201288생성일: 2026년 10월 26일

Water → 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

https://huagongshe.com/reaction/2201288

반응식

참여 물질

역할이름HCID투입량
반응물WaterHCID 962—
반응물3-BromobenzonitrileHCID 23381—
반응물Barium hydroxideHCID 6093286—
반응물1,3-Dimethyl-2,4-dioxo-6-(2-(tritylthio)ethyl)-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-ylboronic acidHCID 86723522—
용매DichloromethaneHCID 6344—
용매Butyl AcetateHCID 31272—
생성물3-(1,3-Dimethyl-2,4-dioxo-6-(2-(tritylthio)ethyl)-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-yl)benzonitrileHCID 86723523—

반응 조건

온도80 °C

반응 단계

A suspension comprising 1,3-dimethyl-2,4-dioxo-6-(2-(tritylthio)ethyl)-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-ylboronic acid (Intermediate F) (300 mg, 0.571 mmol), 3-bromobenzonitrile (104 mg, 0.571 mmol) and barium hydroxide (196 mg, 1.142 mmol) in n-BuOAc (5710 μL) was treated with Pd-118 (18.61 mg, 0.029 mmol) and the mixture was heated to 80° C. Water (247 μL, 13.70 mmol) was added at 80° C. and the suspension was stirred rapidly for 90 minutes. After cooling to RT, the mixture was allowed to stand at RT overnight. The mixture was diluted with DCM (50 ml) and washed with water (50 ml). The layers were separated and the aqueous portion was extracted with DCM (3×30 ml). The organics were combined and dried over MgSO4, filtered and concentrated. Purification of the crude product by trituration with EtOAc/iso-hexane afforded the title compound;

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US09359381B2
출처 데이터셋uspto-grants-2016_06
ORD IDord-4850ca5bab394087b91fa98af5f92589
출처 메모uspto-grants-2016_06