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【结 构 式】 
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【分子编号】27764 【品名】4-isocyanatobenzenesulfonyl chloride 【CA登记号】 |
【 分 子 式 】C7H4ClNO3S 【 分 子 量 】217.6324 【元素组成】C 38.63% H 1.85% Cl 16.29% N 6.44% O 22.05% S 14.73% |
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：(XXVIII)A further procedure for the synthesis of the intermediate sulfonyl chloride (XXIII) has been reported. Cyclopentylpropanol (XV) was prepared by borane reduction of carboxylic acid (XXV). Subsequent conversion of (XV) to mesylate (XVI), followed by displacement with NaN3 provided azide (XXVI). Then, cycloaddition of isocyanate (XXVIII), (obtained by treatment of sulfanilic acid (XXVII) with phosgene in boiling o-dichlorobenzene), to azide (XXVI) generated the required tetrazolone (XXIII).
| 【1】 Ho, G.J. (Merck & Co., Inc.); Process for the preparation of a beta3-agonist. WO 9734880 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XV) | 27752 | 3-cyclopentyl-1-propanol | 767-05-5 | C8H16O | 详情 | 详情 |
| (XVI) | 27753 | 3-cyclopentylpropyl methanesulfonate | C9H18O3S | 详情 | 详情 | |
| (XXIII) | 27759 | 4-[4-(3-cyclopentylpropyl)-5-oxo-4,5-dihydro-1H-1,2,3,4-tetraazol-1-yl]benzenesulfonyl chloride | C15H19ClN4O3S | 详情 | 详情 | |
| (XXV) | 27761 | 3-cyclopentylpropionic acid | 140-77-2 | C8H14O2 | 详情 | 详情 |
| (XXVI) | 27762 | 1-(3-azidopropyl)cyclopentane | C8H15N3 | 详情 | 详情 | |
| (XXVII) | 27763 | 4-aminobenzenesulfonic acid | 121-57-3 | C6H7NO3S | 详情 | 详情 |
| (XXVIII) | 27764 | 4-isocyanatobenzenesulfonyl chloride | C7H4ClNO3S | 详情 | 详情 |
Extended Information