|
【结 构 式】 
|
【分子编号】33400 【品名】4-nitro-3-(trifluoromethyl)phenylamine; 4-nitro-3-(trifluoromethyl)aniline; 3-Trifluoromethyl-4-nitroaniline 【CA登记号】393-11-3 |
【 分 子 式 】C7H5F3N2O2 【 分 子 量 】206.1241896 【元素组成】C 40.79% H 2.44% F 27.65% N 13.59% O 15.52% |
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：(V)The synthesis of heptadeuterated flutamide has been reported: The reaction of deuterated isopropyl bromide (I) with Mg in THF gives the corresponding Grignard reagent (II), which is treated with CO2 yielding the deuterated isobutyric acid (III). The reaction of (III) with oxalyl chloride affords the expected acyl chloride (IV), which is finally condensed with 4-nitro-3-(trifluoromethyl)aniline (V).
| 【1】 Passarella, D.; et al.; Synthesis of flutamide-d7 and its main metabolite-d6. J Label Compd Radiopharm 1999, 42, 3, 275. |
| 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) | 32658 | 2-bromopropane | 75-26-3 | C3H7Br | 详情 | 详情 |
| (II) | 33398 | bromo(isopropyl)magnesium | 920-39-8 | C3H7BrMg | 详情 | 详情 |
| (III) | 33399 | 2-methylpropionic acid | 79-31-2 | C4H8O2 | 详情 | 详情 |
| (IV) | 14932 | isobutyryl chloride; 2-methylpropanoyl chloride | 79-30-1 | C4H7ClO | 详情 | 详情 |
| (V) | 33400 | 4-nitro-3-(trifluoromethyl)phenylamine; 4-nitro-3-(trifluoromethyl)aniline; 3-Trifluoromethyl-4-nitroaniline | 393-11-3 | C7H5F3N2O2 | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(II)By condensation of 4-nitro-3-trifluoromethylaniline (II) with isobutiryl (I) in pyridine.
| 【1】 Neri, R.O.; et al.; Substituierte Anilide. DE 2130450 . |
| 【2】 Neri, R.O.; et al.; Nouveaux anilides substitues therapeutiquement actifs et leurs procedes de fabrication. FR 2142803 . |
| 【3】 Thorpe, P.; Castaner, J.; Flutamide. Drugs Fut 1976, 1, 3, 108. |
Extended Information