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【结 构 式】 
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【分子编号】56909 【品名】isocyanatomethyl 4-methylphenyl sulfone; (isocyanatomethyl)(4-methylphenyl)dioxo-lambda~6~-sulfane 【CA登记号】 |
【 分 子 式 】C9H9NO3S 【 分 子 量 】211.2414 【元素组成】C 51.17% H 4.29% N 6.63% O 22.72% S 15.18% |
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 desired intermediate 5-(2-methoxy-4-nitrophenyl)oxazole (IV) has been obtained as follows. The carbonylation of 2-methoxy-4-nitrophenyldiazonium tetrafluoroborate (I) by means of carbon monoxide catalyzed by Pd(OAc)2 and Tes-H in ethyl ether/acetonitrile gives 2-methoxy-4-nitrobenzaldehyde (II), which is cyclized with tosylmethyl isocyanate (III) by means of K2CO3 in refluxing methanol to afford the target intermediate 5-(2-methoxy-4-nitrophenyl)oxazole (IV) (see scheme no. 24362801a, intermediate (IV)).
| 【1】 Wilson, J.D.; Meckler, H.; Herr, R.J.; Fairfax, D.J.; Preparation of 5-(2-methoxy-4-nitrophenyl)oxazole: A key intermediate for the construction of VX-497. Org Process Res Dev 2002, 6, 5, 677. |
| 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) | 56908 | C7H6BF4N3O3 | 详情 | 详情 | ||
| (II) | 39656 | 2-methoxy-4-nitrobenzaldehyde | C8H7NO4 | 详情 | 详情 | |
| (III) | 56909 | isocyanatomethyl 4-methylphenyl sulfone; (isocyanatomethyl)(4-methylphenyl)dioxo-lambda~6~-sulfane | C9H9NO3S | 详情 | 详情 | |
| (IV) | 39657 | methyl 5-nitro-2-(1,3-oxazol-5-yl)phenyl ether; 5-(2-methoxy-4-nitrophenyl)-1,3-oxazole | C10H8N2O4 | 详情 | 详情 |
Extended Information