|
【结 构 式】 
|
【分子编号】60978 【品名】2-(8-chloro-2,3,4,5-tetrahydro-6H-1,6-benzothiazocin-6-yl)acetonitrile 【CA登记号】 |
【 分 子 式 】C12H13ClN2S 【 分 子 量 】252.7674 【元素组成】C 57.02% H 5.18% Cl 14.03% N 11.08% S 12.69% |
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：(III)The reaction of 8-chloro-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine (I) with chloroacetonitrile (II) by means of Na2CO3 at 90 C gives 8-chloro-6-cyanomethyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine (III), which is cyclized with N-isopropylethylenediamine (IV) by heating at 110 C with some CS2
| 【1】 Zivkovic, D. (UCB (Union Chimique-Chemisque Bedrijven) S.A.); BE 727977; CA 897161; DE 1905525; GB 1191963; JP 7213912; NL 6901745; US 366927 . |
| 【2】 Blancafort, P.; Serradell, M.N.; Castaner, J.; Koch, H.; Dazolicine. Drugs Fut 1981, 6, 9, 540. |
| 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) | 60977 | 8-chloro-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine | C10H12ClNS | 详情 | 详情 | |
| (II) | 14443 | 2-chloroacetonitrile; chloroacetonitrile | 107-14-2 | C2H2ClN | 详情 | 详情 |
| (III) | 60978 | 2-(8-chloro-2,3,4,5-tetrahydro-6H-1,6-benzothiazocin-6-yl)acetonitrile | C12H13ClN2S | 详情 | 详情 | |
| (IV) | 50979 | (8R,9S,13S,14S)-3-(benzyloxy)-16-[(Z)-hydroxymethylidene]-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-one | C26H28O3 | 详情 | 详情 |
Extended Information