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【结 构 式】 
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【分子编号】56070 【品名】ethyl 2-methyl-2-phenoxypropanoate 【CA登记号】 |
【 分 子 式 】C12H16O3 【 分 子 量 】208.25724 【元素组成】C 69.21% H 7.74% O 23.05% |
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：(XIV)An alternative route to the intermediate bromide (IX) has been reported. Condensation of phenol (XII) with 1,1,1-trichloro-2-methyl-2-propanol (V) led to 2-phenoxyisobutyric acid (XIII), which was further esterified by treatment with SOCl2 in EtOH to yield (XIV). Friedel-Crafts acylation of (XIV) with bromoacetyl bromide (XV) in the presence of AlCl3 provided the phenacyl bromide (XVI). The corresponding phenethyl bromide (IX) was then obtained by reduction of ketone (XVI) with triethylsilane in trifluoroacetic acid.
| 【1】 Hirabayashi, A.; Tamai, T.; Muranaka, H.; Tanaka, N.; Ishikawa, T.; Mukaiyama, H.; Akahane, M.; Akahane, S.; beta(3)- Adrenoceptor agonists for the treatment of frequent urination and urinary incontinence: 2-[4-(2-[[1S,2R)-2- hydroxy-2-(4- hydroxyphenyl)-1-methylethyl]ethyl) phenoxy]-2-methylpropionic acid. Bioorg Med Chem 2001, 9, 12, 3265. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (V) | 25975 | 1,1,1-trichloro-2-methyl-2-propanol | 57-15-8 | C4H7Cl3O | 详情 | 详情 |
| (IX) | 56067 | ethyl 2-[4-(2-bromoethyl)phenoxy]-2-methylpropanoate | C14H19BrO3 | 详情 | 详情 | |
| (XII) | 23540 | Phenol | 108-95-2 | C6H6O | 详情 | 详情 |
| (XIII) | 56069 | 2-methyl-2-phenoxypropanoic acid | C10H12O3 | 详情 | 详情 | |
| (XIV) | 56070 | ethyl 2-methyl-2-phenoxypropanoate | C12H16O3 | 详情 | 详情 | |
| (XV) | 14005 | 2-Bromoacetyl bromide; Bromoacetyl bromide | 598-21-0 | C2H2Br2O | 详情 | 详情 |
| (XVI) | 56071 | ethyl 2-[4-(2-bromoacetyl)phenoxy]-2-methylpropanoate | C14H17BrO4 | 详情 | 详情 |
Extended Information