|
【结 构 式】 
|
【分子编号】46416 【品名】2-[(dibenzylene)amino]acetonitrile 【CA登记号】70591-20-7 |
【 分 子 式 】C15H12N2 【 分 子 量 】220.27376 【元素组成】C 81.79% H 5.49% N 12.72% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号：(III)2-(Hydroxymethyl)-5-fluoroindane (I) was converted to bromide (II) upon treatment with CBr4 and PPh3. Alkylation of N-(diphenylmethylene)aminoacetonitrile (III) with bromide (II) under phase-transfer conditions furnished amino nitrile (V), which was reduced to diamine (VI) by using LiAlH4 in THF. Finally, condensation of diamine (V) with formamidine acetate yielded the target imidazoline.
| 【1】 Newman-Tancredi, A.; Lacoste, J.-M.; Millan, M.; Cordi, A.; Gobert, A. (ADIR et Cie.); Imidazoline derivs., preparation and pharmaceutical compsns. containing them. EP 1010693; FR 2787451; JP 2000178255; US 6127396 . |
| 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) | 46414 | (5-fluoro-2,3-dihydro-1H-inden-2-yl)methanol | C10H11FO | 详情 | 详情 | |
| (II) | 46415 | 2-(bromomethyl)-5-fluoroindane | C10H10BrF | 详情 | 详情 | |
| (III) | 46416 | 2-[(dibenzylene)amino]acetonitrile | 70591-20-7 | C15H12N2 | 详情 | 详情 |
| (IV) | 46417 | 2-amino-3-(5-fluoro-2,3-dihydro-1H-inden-2-yl)propanenitrile | C12H13FN2 | 详情 | 详情 | |
| (V) | 46418 | 3-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-1,2-propanediamine; 2-amino-1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]ethylamine | C12H17FN2 | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(IV)
| 【1】 Kuo SC. Mas JL, Houn 2002. Synthesis of temozolomide and analogs. US 2002095036 |
| 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) | 66804 | N-(tert-butyl)-2-cyanoacetamide | C7H12N2O | 详情 | 详情 | |
| (II) | 66810 | 2-(tert-butylamino)-N-hydroxy-2-oxoacetimidoyl cyanide | C7H11N3O2 | 详情 | 详情 | |
| (III) | 66812 | 2-aminoacetonitrile hydrochloride | C2H4N2.HCl | 详情 | 详情 | |
| (IV) | 46416 | 2-[(dibenzylene)amino]acetonitrile | 70591-20-7 | C15H12N2 | 详情 | 详情 |
| (V) | 66813 | N-(tert-butyl)-2-cyano-2-((diphenylmethylene)amino)acetamide | C20H21N3O | 详情 | 详情 | |
| (VI) | 66811 | 2-amino-N-(tert-butyl)-2-cyanoacetamide | C7H13N3O | 详情 | 详情 | |
| (VII) | 66815 | (E)-N,N'-bis(methylcarbamoyl)formimidamide | C5H10N4O2 | 详情 | 详情 | |
| (VIII) | 66816 | 5-amino-N4-(tert-butyl)-N1-methyl-1H-imidazole-1,4-dicarboxamide | C10H17N5O2 | 详情 | 详情 | |
| (IX) | 66817 | N-(tert-butyl)-3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide | C10H14N6O2 | 详情 | 详情 | |
| (X) | 66814 | 2-amino-N-(tert-butyl)-2-cyanoacetamide hydrochloride | C7H13N3O.HCl | 详情 | 详情 |
Extended Information