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【结 构 式】 
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【分子编号】52008 【品名】 【CA登记号】 |
【 分 子 式 】C22H21FLiNO3 【 分 子 量 】373.3530832 【元素组成】C 70.78% H 5.67% F 5.09% Li 1.86% N 3.75% O 12.86% |
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 condensation of 2(S)-(2-fluorobiphenyl-4-yl)propionic acid (I) with tert-butyl cyanacetate (II) by means of lithium amide in THF gives lithium enolate (III), which is cyclized with hydroxylamine in aqueous DMF to yield the 5-aminoisoxazole (IV). Finally, this compound is condensed with morpholine-4-carbonitrile by means of lithium amide in toluene/tert-butanol to afford the target amidine.
| 【1】 Nakatsuka, M.; et al.; Novel disease modifying anti-rheumatic agents (DMARDs): Syntheses and SAR of 5-guanidinoisoxazoles. 222nd ACS Natl Meet (Aug 26 2001, Chicago) 2001, Abst MEDI 269. |
| 【2】 Ueno, Y.; Okada, S.; Nakatsuka, M.; Nishikaku, F. (Sumitomo Pharmaceuticals Co., Ltd.); Isoxazole derivs.. EP 0979226; JP 1999240873; US 6100260; WO 9847880 . |
| 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) | 52007 | (2S)-2-(2-fluoro[1,1'-biphenyl]-4-yl)propionic acid | C15H13FO2 | 详情 | 详情 | |
| (II) | 14330 | tert-Butyl cyanoacetate; tert-butyl 2-cyanoacetate | 1116-98-9 | C7H11NO2 | 详情 | 详情 |
| (III) | 52008 | C22H21FLiNO3 | 详情 | 详情 | ||
| (IV) | 52009 | 3-[(1S)-1-(2-fluoro[1,1'-biphenyl]-4-yl)ethyl]-5-isoxazolamine; 3-[(1S)-1-(2-fluoro[1,1'-biphenyl]-4-yl)ethyl]-5-isoxazolylamine | C17H15FN2O | 详情 | 详情 | |
| (V) | 52010 | 4-Morpholinecarbonitrile; Morpholine-4-carbonitrile; N-Cyanomorpholine | 1530-89-8 | C5H8N2O | 详情 | 详情 |
Extended Information