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【结 构 式】

【分子编号】44689

【品名】2-ethyl-1H-isoindole-1,3(2H)-dione

【CA登记号】

【 分 子 式 】C10H9NO2

【 分 子 量 】175.187

【元素组成】C 68.56% H 5.18% N 8% O 18.27%

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:(XII)

2) Hexadeuteroethyl alcohol (IX) is treated with red phosphorus and I2 at reflux temperature to give pentadeuteroethyl iodide (X), which is condensed with potassium phthalimide (XI) in DMF, yielding N-(pentadeuteroethyl)phthalimide (XII). The hydrolysis of (XII) with hydrazine and HCl affords pentadeuteroethylamine (XIII), which is condensed with 1-methylpiperidin-4-one (III) and formaldehyde (XIV) in a Mannich reaction to give 3-methyl-7-(pentadeuteroethyl)-3,7-diazabicyclo[3.3.1]nonan-9-one (XV). The reduction of (XV) with NaBH4 as before yields the diastereomeric mixture (XVI + XVII). Finally, the alpha-isomer (XVI) is condensed with 4-chlorobenzoyl chloride (VIII) as before to give the pentadeuterium-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.
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
(VIII) 10295 p-Chlorobenzoyl chloride; 4-Chlorobenzoyl chloride 122-01-0 C7H4Cl2O 详情 详情
(IX) 10924 Ethyl alcohol; Ethanol 1516-08-1 C2H6O 详情 详情
(IX) 44687 Ethanol-d6 C2H6O 详情 详情
(X) 10925 Iodoethane;ethyl iod 75-03-6 C2H5I 详情 详情
(X) 44688 1-iodoethane-d5 C2H5I 详情 详情
(XI) 10926 (1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)potassium C8H4KNO2 详情 详情
(XII) 10927 2-Ethyl-1H-isoindole-1,3(2H)-dione 5022-29-7 C10H9NO2 详情 详情
(XII) 44689 2-ethyl-1H-isoindole-1,3(2H)-dione C10H9NO2 详情 详情
(XIII) 10928 Ethanamine 75-04-7 C2H7N 详情 详情
(XIII) 44690 ethylamine; 1-ethanamine C2H7N 详情 详情
(XV) 10929 3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one C10H18N2O 详情 详情
(XV) 44691 3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one C10H18N2O 详情 详情
(XVI) 10921 3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol C10H20N2O 详情 详情
(XVI) 44692 3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol C10H20N2O 详情 详情
(XVII) 10922 3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol C10H20N2O 详情 详情
(XVII) 44693 3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol C10H20N2O 详情 详情
Extended Information