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【结 构 式】 
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【分子编号】65179 【品名】N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]hexadecanamide 【CA登记号】 |
【 分 子 式 】C31H52N2O4 【 分 子 量 】516.76496 【元素组成】C 72.05% H 10.14% N 5.42% O 12.38% |
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)Methenamine is added to a solution of bromide (I) in CHCl3 and after treatment with concentrated HCl, amine (II) is obtained. NaOAc and palmitoyl chloride (III) are added to a solution of (II) in THF to yield derivative (IV) which is finally converted to (V) by treatment with paraformaldehyde and pyrrolidine in ethanol, followed by treatment with concentrated HCl, reduction with NaBH4 and final hydrolysis with diluted HCl.
| 【1】 Lee, L.; et al.; Improved inhibitors of glucosylceramide synthase. J Biol Chem 1999, 274, 21, 14662. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| 11376 | Pyrrolidine | 123-75-1 | C4H9N | 详情 | 详情 | |
| (I) | 41363 | 2,3-dihydro-1,4-benzodioxine-6-carbonyl bromide | C9H7BrO3 | 详情 | 详情 | |
| (II) | 41364 | 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethanone | C10H11NO3 | 详情 | 详情 | |
| (III) | 16480 | Palmitoyl Chloride; hexadecanoyl chloride | 112-67-4 | C16H31ClO | 详情 | 详情 |
| (IV) | 41365 | N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]hexadecanamide | C26H41NO4 | 详情 | 详情 | |
| (V) | 65179 | N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]hexadecanamide | C31H52N2O4 | 详情 | 详情 |
Extended Information