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【结 构 式】 
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【分子编号】60672 【品名】2-propynyl benzenesulfonate 【CA登记号】 |
【 分 子 式 】C9H8O3S 【 分 子 量 】196.22672 【元素组成】C 55.09% H 4.11% O 24.46% S 16.34% |
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：(XVII)An alternative preparation of hydroxy acid (IX) has been reported. 4-Methoxythiophenol (XVI) was alkylated with propargyl benzenesulfonate (XVII) to produce the propargyl sulfide (XVIII), which was further oxidized to sulfoxide (XIX). Rearrangement of (XIX) as above, followed by sequential oxidation of the resultant benzothiophenemethanol (XX) with I2/TEMPO to aldehyde (XXI) and then with NaClO2/H2O2, furnished the carboxylic acid (XXII). Then, methyl ether cleavage by using BBr3 in toluene afforded (IX).
| 【1】 Cai, D.; Larsen, R.; Journet, M.; Campos, K. (Merck & Co., Inc.); Process for the preparation of PGD2 antagonist. WO 0232892 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IX) | 52240 | 5-hydroxy-1-benzothiophene-3-carboxylic acid | C9H6O3S | 详情 | 详情 | |
| (XVI) | 25639 | 4-methoxyphenylhydrosulfide; 4-methoxybenzenethiol | 34320-82-6 | C7H8OS | 详情 | 详情 |
| (XVII) | 60672 | 2-propynyl benzenesulfonate | C9H8O3S | 详情 | 详情 | |
| (XVIII) | 60673 | 1-methoxy-4-(2-propynylsulfanyl)benzene; methyl 4-(2-propynylsulfanyl)phenyl ether | C10H10OS | 详情 | 详情 | |
| (XIX) | 60674 | (4-methoxyphenyl)(oxo)2-propynyl-lambda~4~-sulfane; 4-methoxyphenyl 2-propynyl sulfoxide | C10H10O2S | 详情 | 详情 | |
| (XX) | 60675 | (5-methoxy-1-benzothiophen-3-yl)methanol | C10H10O2S | 详情 | 详情 | |
| (XXI) | 60676 | 5-methoxy-1-benzothiophene-3-carbaldehyde | C10H8O2S | 详情 | 详情 | |
| (XXII) | 60677 | 5-methoxy-1-benzothiophene-3-carboxylic acid | C10H8O3S | 详情 | 详情 |
Extended Information