1-Fluoro-4-(isocyanatomethyl)benzene → N-(8-bromoisoquinolin-5-yl)-N'-(4-fluorobenzyl)urea

HRID 887207

Reaktionsgleichung

Reaktionsgleichung von HRID 887207
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][N:9]=[C:10]=[O:11])=[CH:4][CH:3]=1.[Br:12][C:13]1[C:22]2[CH:21]=[N:20][CH:19]=[CH:18][C:17]=2[C:16]([NH2:23])=[CH:15][CH:14]=1>>[Br:12][C:13]1[CH:14]=[CH:15][C:16]([NH:23][C:10]([NH:9][CH2:8][C:5]2[CH:4]=[CH:3][C:2]([F:1])=[CH:7][CH:6]=2)=[O:11])=[C:17]2[C:22]=1[CH:21]=[N:20][CH:19]=[CH:18]2

Komponenten

3

Edukt 2

HCID 27333761-Fluoro-4-(isocyanatomethyl)benzeneHCID 220326308-Bromoisoquinolin-5-amine

Produkt 1

HCID 10429462N-(8-bromoisoquinolin-5-yl)-N'-(4-fluorobenzyl)urea

Versuchsvorschrift

The title compound was prepared using 1-fluoro-4-(isocyanatomethyl)benzene, the product of Example 73A and the procedure described in Example 73B (white solid, 108 mg, 65%). MS (ESI+) m/z 376 (M+H)+; MS (ESI−) m/z 374 (M−H)−; 1H NMR (DMSO-d6, 300 MHz) δ 4.35 (d, 5.8, 2H), 7.12 (m, 1H), 7.18 (m, 2H), 7.40 (m, 1H), 7.91 (d, J 8.5, 1H), 7.99 (d, J 6.1, 1H), 8.24 (d, J 8.5, 1H), 8.69 (d, J 5.8, 1H), 8.88 (s, 1H), 9.44 (s, 1H); Anal. Calcd for C17H13BrFN3O: C, 54.56; H, 3.50; N, 11.23. Found: C, 54.61; H, 3.35; N, 11.14.

Quellen und Nachweise

ORD-Eintrag
ord-749f69509c9645db8ffd40b12ca64b36
Quelldatensatz
uspto-grants-2012_08
Patentnummer
US08247413B2

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