N,N,N-trimethylmethanaminium 4-(2-amino-2-oxoethyl)benzenolate -Drug Synthesis Database

【结构式】

【分子编号】51084

【品名】N,N,N-trimethylmethanaminium 4-(2-amino-2-oxoethyl)benzenolate

【CA登记号】

【分子式】C₁₂H₂₀N₂O₂

【分子量】224.30308

【元素组成】C 64.26% H 8.99% N 12.49% O 14.27%

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：(II)

Treatment of sodium phenoxide derivative (I) with Amberlite IRA-400 (containing quaternary ammonium groups) provides resin (II), which is then coupled with epichlorohydrin (III) in refluxing MeOH to afford arylepoxyether (IV). Finally, (S)-atenolol is obtained by reaction of (IV) with isopropylamine (V) in refluxing MeOH.

参考文献中间体

合成目标

【1】 Damle, S.V.; et al.; One pot synthesis of (±)/(S)-atenolol and (±)/(S)-propranolol by employing polymer supported reagent. Synth Commun 1999, 29, 10, 1639.

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)	51083	sodium 4-(2-amino-2-oxoethyl)benzenolate		C₈H₈NNaO₂	详情	详情
(II)	51084	N,N,N-trimethylmethanaminium 4-(2-amino-2-oxoethyl)benzenolate		C₁₂H₂₀N₂O₂	详情	详情
(III)	38067	(2R)-2-(Chloromethyl)oxirane; (R)-Epichlorohydrin	51594-55-9	C₃H₅ClO	详情	详情
(IV)	51072	2-[4-[oxiranylmethoxy]phenyl]acetamide		C₁₁H₁₃NO₃	详情	详情
(V)	23933	2-Propanamine; Isopropylamine	75-31-0	C₃H₉N	详情	详情

Extended Information