Ethylorthoformate → 4-pentyl-1,4-dihydro-9H-[1,2,4]triazolo[1,5-a]purin-9-one

반응식

[NH2:1][N:2]1[C:10](=[O:11])[C:9]2[NH:8][CH:7]=[N:6][C:5]=2[N:4]([CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[C:3]1=[NH:17].[CH:18]([O-])([O-])OCC>>[CH2:12]([N:4]1[C:5]2[N:6]=[CH:7][NH:8][C:9]=2[C:10](=[O:11])[N:2]2[N:1]=[CH:18][N:17]=[C:3]12)[CH2:13][CH2:14][CH2:15][CH3:16]

참가 물질

반응물 2

HCID 53630039Ethylorthoformate

HCID 576003161-amino-2-imino-3-pentyl-1,2,3,7-tetrahydro-6H-purin-6-one

생성물 1

HCID 576002184-pentyl-1,4-dihydro-9H-[1,2,4]triazolo[1,5-a]purin-9-one수율 20.3%

반응 조건

온도: 100 °C

실험 절차

The mixture of 1-amino-2-imino-3-pentyl-1,2,3,7-tetrahydro-6H-purin-6-one (0.10 g, 0.4 mmol) and ethyl orthoformate (5 mL, 30 mmol) was stirred at 100° C. for 6 hours. The reaction mixture was concentrated and purified by preparative LCMS to yield the desired product (20 mg, 20%). LCMS calculated for C11H15N6O (M+H): 247.1. found: 247.1.

후처리

concentrationThe reaction mixture was concentrated
custompurified by preparative LCMS

출처 및 근거

ORD 기록: ord-43c29fa7963d43fdb98919d563fa3dd8
출처 데이터셋: uspto-grants-2011_10
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08039478B2

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