diethyl 2-(acetylamino)-2-decylpropanedioate -Drug Synthesis Database

【结构式】

【分子编号】63516

【品名】diethyl 2-(acetylamino)-2-decylpropanedioate

【CA登记号】

【分子式】C₁₉H₃₅NO₅

【分子量】357.49064

【元素组成】C 63.84% H 9.87% N 3.92% O 22.38%

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：(III)

Alkylation of diethyl acetamidomalonate (I) with 1-bromodecane (II) affords malonate (III). Subsequent hydrolysis and decarboxylation of (III) under acidic conditions leads to 2-aminododecanoic acid (IV). This is then protected as the N-Boc derivative (V) upon treatment with Boc2O and NaOH

参考文献中间体

合成目标

【1】 Blanchfield, J.T.; Dutton, J.L.; Hogg, R.C.; Gallagher, O.P.; Craik, D.J.; Jones, A.; Adams, D.J.; Lewis, R.J..; Alewood, P.F.; Toth, I.; Synthesis, structure elucidation, in vitro biological activity, toxicity, and caco-2 cell permeability of lipophilic analogues of alpha-conotoxin MII. J Med Chem 2003, 46, 7, 1266.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	16710	Diethyl 2-(acetamido)malonate; Diethyl acetamidomalonate	1068-90-2	C₉H₁₅NO₅	详情	详情
(II)	58570	1-Bromodecane; 1-Decyl bromide; Decyl bromide; n-decyl bromide	112-29-8	C₁₀H₂₁Br	详情	详情
(III)	63516	diethyl 2-(acetylamino)-2-decylpropanedioate		C₁₉H₃₅NO₅	详情	详情
(IV)	63517	2-aminododecanoic acid		C₁₂H₂₅NO₂	详情	详情
(V)	63518	2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)dodecanoic acid		C₁₇H₃₃NO₄	详情	详情

Extended Information