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【结 构 式】

【分子编号】44684

【品名】3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one

【CA登记号】

【 分 子 式 】C10H18N2O

【 分 子 量 】182.2658

【元素组成】C 65.9% H 9.95% N 15.37% O 8.78%

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:(V)

The synthesis of [14C]- and deuterium-labeled bisaramil hydrochloride has been reported: 1) The reduction of (14)CO2 with LiAlH4 in THF gives labeled formaldehyde (II), which by a Mannich reaction is condensed with ethylamine (IV) and N-methylpiperidin-4-one (III) by means of acetic acid in refluxing methanol to yield labeled 3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one (V). The reduction of (V) with NaBH4 in methanol/NaOH affords a mixture of the alpha- and beta-isomers of the labeled 9-hydroxy derivative (VI + VII). After separation by its different solubility in isopropanol, the alpha-isomer is condensed with 4-chlorobenzoyl chloride (VIII) in hot pyridine to give [2,4-14C]-labeled bisaramil.

1 Mlinko, S.; Simon Trompler, E.; Szammer, J.; Synthesis of bisaramil labelled with carbon-14 and deuterium. J Label Compd Radiopharm 1994, 34, 4, 313.
2 Lapis, E.; YUTAC. Drugs Fut 1985, 10, 10, 837.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(III) 10919 1-Methyl-4-piperidone; 1-Methyltetrahydro-4(1H)-pyridinone; N-Methyl-4-piperidone;1-methylpiperidin-4-one 1445-73-4 C6H11NO 详情 详情
(V) 10920 3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one C10H18N2O 详情 详情
(V) 44684 3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one C10H18N2O 详情 详情
(VI) 10921 3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol C10H20N2O 详情 详情
(VI) 44685 3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol C10H20N2O 详情 详情
(VII) 10922 3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol C10H20N2O 详情 详情
(VII) 44686 3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol C10H20N2O 详情 详情
(VIII) 10295 p-Chlorobenzoyl chloride; 4-Chlorobenzoyl chloride 122-01-0 C7H4Cl2O 详情 详情
Extended Information