　 -Drug Synthesis Database

【结构式】

【分子编号】45338

【品名】　

【CA登记号】

【分子式】C₉H₁₁NO

【分子量】149.19248

【元素组成】C 72.46% H 7.43% N 9.39% O 10.72%

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 [U-ring-14C] acetophenone (I) with O-methylhydroxylamine hydrochloride in pyridine/EtOH and catalytic MgSO4 yields labeled acetophenone oxime methyl ether (II), which is then subjected to Didier's enantioselective reduction with BH3·THF and 1S,2R-1-amino-indan-2-ol (III) to provide labeled (S)-(IV). Finally, phenylethylamine (S)-(IV) is coupled to chiral acid (V) with 1-hydroxybenzotriazole hydrate (HOBt), 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDC) and N-methylmorpholine (NMM).

参考文献中间体

合成目标

【1】 Zhang, Y.S.; Synthesis of 14C-labeled S-(-)-1-phenylethylamine and its application to the synthesis of [14C] CI-1021, a potential antiemetic agent(1). J Label Compd Radiopharm 2000, 43, 11, 1087.

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)	10317	Acetophenone	98-86-2	C₈H₈O	详情	详情
(I)	45337			C₈H₈O	详情	详情
(II)	44172	1-phenyl-1-ethanone O-methyloxime		C₉H₁₁NO	详情	详情
(II)	45338			C₉H₁₁NO	详情	详情
(III)	16239	(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol; Cis-(1S)-1-amino-2,3-dihydro-1H-inden-2-ol	126456-43-7	C₉H₁₁NO	详情	详情
(IV)	20042	(1S)-1-phenyl-1-ethanamine; (1S)-1-phenylethylamine		C₈H₁₁N	详情	详情
(IV)	45339			C₈H₁₁N	详情	详情
(V)	44173	(2R)-2-[[(1-benzofuran-2-ylmethoxy)carbonyl]amino]-3-(1H-indol-3-yl)-2-methylpropionic acid		C₂₂H₂₀N₂O₅	详情	详情

Extended Information