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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 586003생성일: 2026년 10월 25일

Diisopropylethylamine → N-(4-tert-butylbenzyl)-N'-(1,3-dimethyl-5-isoquinolinyl)urea

https://huagongshe.com/reaction/586003

반응식

참여 물질

역할이름HCID투입량
반응물DiisopropylethylamineHCID 81531—
반응물1-Tert-butyl-4-(isocyanatomethyl)benzeneHCID 22042227—
반응물1,3-Dimethylisoquinolin-5-amineHCID 22337624—
용매TolueneHCID 1140—
생성물N-(4-tert-butylbenzyl)-N'-(1,3-dimethyl-5-isoquinolinyl)ureaHCID 10473764—

반응 단계

The product from Example 186A (3.42 mmol) in toluene (12 mL) was treated with 5-amino-1,3-dimethylisoquinoline (245 mg, 1.42 mmol) and DIEA (5 mL). The mixture was heated at 800 for 3 hours, cooled to room tempoerature, and filtered. The precipitate thus obtained was purified by silica gel chromatography (97:3 CH2Cl2:CH3OH to 95:5 CH2Cl2:CH3OH) to provide the title compound. The corresponding hydrochloride salt was prepared by treatment with methanolic HCl. 1H NMR (300 MHz, DMSO-d6) δ 8.55 (s, 1H), 8.21 (d, 1H, J=7.1 Hz), 7.78 (d, 1H, 8.5 Hz), 7.59 (s, 1H), 7.48 (t, 1H, J=8.0 Hz), 7.36-7.40 (m, 2H), 7.27-7.29 (m, 2H), 6.98 (m, 1H), 4.31 (d, 2H, J=5.8 Hz), 2.84 (s, 3H), 2.58 (s, 3H), 1.28 (s, 9H); MS (ESI+) m/z 362 (M+H).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US06933311B2
출처 데이터셋uspto-grants-2005_08
ORD IDord-ba0357e825bf452fa5e008fbcba3cf2b
출처 메모uspto-grants-2005_08