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【结 构 式】

【分子编号】46463

【品名】3-bromo-4-(methoxymethoxy)benzonitrile

【CA登记号】

【 分 子 式 】C9H8BrNO2

【 分 子 量 】242.07206

【元素组成】C 44.66% H 3.33% Br 33.01% N 5.79% O 13.22%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号:(V)

3-Bromo-4-hydroxybenzonitrile (IV) was protected as the methoxymethyl ether (V). Subsequent Heck reaction with N-allyl phthalimide (VI) produced adduct (VII). The phthaloyl group OF (VII) was then removed by hydrazinolysis to yield the primary amine (VIII), which was coupled with carboxylic acid (III) using TBTU to afford amide (IX). Pinner reaction of (IX) with concomitant methoxymethyl group deprotection gave imidate (X). Finally, ammonolysis of the imidate group of (X) furnished the title amidine.

1 Pauls, H.W.; Brown, K.D.; Liang, G.; Czekaj, M.; Chu, V.; Spada, A.P.; Gong, Y.; Gao, J.; Colussi, D.J.; Amido-(propyl and allyl)-hydroxybenzamidines: Development of achiral inhibitors of factor Xa. Bioorg Med Chem Lett 2000, 10, 3, 217.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(III) 46461 4-[2-(aminocarbonyl)-4-pyridinyl]benzoic acid C13H10N2O3 详情 详情
(IV) 46462 3-bromo-4-hydroxybenzonitrile 2315-86-8 C7H4BrNO 详情 详情
(V) 46463 3-bromo-4-(methoxymethoxy)benzonitrile C9H8BrNO2 详情 详情
(VI) 46464 2-allyl-1H-isoindole-1,3(2H)-dione C11H9NO2 详情 详情
(VII) 46465 3-[(E)-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-propenyl]-4-(methoxymethoxy)benzonitrile C20H16N2O4 详情 详情
(VIII) 46466 3-[(E)-3-amino-1-propenyl]-4-(methoxymethoxy)benzonitrile C12H14N2O2 详情 详情
(IX) 46467 4-[4-[([(E)-3-[5-cyano-2-(methoxymethoxy)phenyl]-2-propenyl]amino)carbonyl]phenyl]-2-pyridinecarboxamide C25H22N4O4 详情 详情
(X) 46468 ethyl 3-[(E)-3-([4-[2-(aminocarbonyl)-4-pyridinyl]benzoyl]amino)-1-propenyl]-4-hydroxybenzenecarboximidoate C25H24N4O4 详情 详情
Extended Information