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【结 构 式】 
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【分子编号】60782 【品名】1-isocyanato-4-isothiocyanatobenzene; 4-isothiocyanatophenyl isocyanate 【CA登记号】 |
【 分 子 式 】C8H4N2OS 【 分 子 量 】176.19864 【元素组成】C 54.53% H 2.29% N 15.9% O 9.08% S 18.2% |
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：(IV)Two new syntheses for amoscanate have been described: 1) The reaction of 4-isothiocyanatobenzoyl chloride (I) with sodium azide (II) gives 4-isothiocyanatobenzoyl azide (III), which by heating in chlorobenzene is converted into 4-isothiocyanatophenyl isocyanate (IV). Finally this compound is condensed with 4-nitrophenol (V) by heating at 190 C. 2) By condensation of 1,4-phenylenebisisothiocyanate (VI) with 4-nitrophenol (V) at 190 C as before.
| 【1】 IN 150073 . |
| 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) | 60780 | 4-isothiocyanatobenzoyl chloride | C8H4ClNOS | 详情 | 详情 | |
| (III) | 60781 | 4-isothiocyanatobenzoyl azide | C8H4N4OS | 详情 | 详情 | |
| (IV) | 60782 | 1-isocyanato-4-isothiocyanatobenzene; 4-isothiocyanatophenyl isocyanate | C8H4N2OS | 详情 | 详情 | |
| (V) | 11236 | 4-Nitrophenol; p-Nitrophenol | 100-02-7 | C6H5NO3 | 详情 | 详情 |
| (VI) | 60783 | 1,4-diisothiocyanatobenzene; 4-isothiocyanatophenyl isothiocyanate | C8H4N2S2 | 详情 | 详情 |
Extended Information