N-{3-[5-(aminomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]propyl}-N,N-dimethylamine; 3-[5-(aminomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethyl-1-propanamine -Drug Synthesis Database

【结构式】

【分子编号】55292

【品名】N-{3-[5-(aminomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]propyl}-N,N-dimethylamine; 3-[5-(aminomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethyl-1-propanamine

【CA登记号】

【分子式】C₂₀H₂₅FN₂O

【分子量】328.4297832

【元素组成】C 73.14% H 7.67% F 5.78% N 8.53% O 4.87%

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)

The reduction of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile (I) with LiAlH4 in THF/ethyl ether gives 5-(aminomethyl)-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran (II), which is finally oxidized with Cu2Cl2 and oxygen in hot pyridine, or with K2S2O8 and NiSO4 in dichloromethane/water to yield the target compound.

参考文献中间体

合成目标

【1】 Petersen, H.; Dancer, R. (H. Lundbeck A/S); Method for the preparation of citalopram. WO 0185712 .

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)	55291	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile		C₂₀H₁₉FN₂O₂	详情	详情
(II)	55292	N-{3-[5-(aminomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]propyl}-N,N-dimethylamine; 3-[5-(aminomethyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethyl-1-propanamine		C₂₀H₂₅FN₂O	详情	详情

Extended Information