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【结 构 式】

【分子编号】30459

【品名】2-[[(2S)-2-(dibenzylamino)-3-phenylpropyl]oxy]-1-ethanol

【CA登记号】

【 分 子 式 】C25H29NO2

【 分 子 量 】375.5108

【元素组成】C 79.96% H 7.78% N 3.73% O 8.52%

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:(XII)

The intermediate 2-(2(S)-amino-3-phenylpropoxy)ethanol (VII) has been obtained as follows: The condensation of 2(S)-(dibenzylamino)-3-phenyl-1-propanol (IX) with tert-butyl 2-bromoacetate (X) by means of tetrabutylammonium hydrogen sulfate and NaOH in dichloromethane/water gives 2-[2(S)-(dibenzylamino)-3-phenylpropoxy]acetic acid tert-butyl ester (XI), which is reduced with LiAlH4 in THF yielding 2-[2(S)-(dibenzylamino)-3-phenylpropoxy]ethanol (XII). Finally, this compound is debenzylated by hydrogenation with H2 over Pd/C in methanol/acetic acid affording the target intermediate (VII).

1 Brundish, D.E.; Brown, L.N.; Le Grand, D.M.; Menear, K.A.; Smith, G.P.; Allen, M.C.; Butler, P.I.; Cockroft, X.-L.; Matthews, I.T.W.; Walker, C.V.; Wathey, W.B. (Novartis AG); Thrombin inhibitors. WO 9746553 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(VII) 30455 2-[[(2S)-2-amino-3-phenylpropyl]oxy]-1-ethanol C11H17NO2 详情 详情
(IX) 30457 (2S)-2-(dibenzylamino)-3-phenyl-1-propanol 111060-52-7 C23H25NO 详情 详情
(X) 17430 2-Bromoacetic acid tert-butyl ester; tert-butyl 2-bromoacetate; tert-Butyl bromoacetate 5292-43-3 C6H11BrO2 详情 详情
(XI) 30458 tert-butyl 2-[[(2S)-2-(dibenzylamino)-3-phenylpropyl]oxy]acetate C29H35NO3 详情 详情
(XII) 30459 2-[[(2S)-2-(dibenzylamino)-3-phenylpropyl]oxy]-1-ethanol C25H29NO2 详情 详情
Extended Information