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【结 构 式】 
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【分子编号】47763 【品名】2-methyl-5-nitrophenol; 2-Hydroxy-4-nitrotoluene; 4-Nitro-2-hydroxytoluene; 5-Nitro-2-methylphenol; 5-Nitro-o-cresol 【CA登记号】5428-54-6 |
【 分 子 式 】C7H7NO3 【 分 子 量 】153.13752 【元素组成】C 54.9% H 4.61% N 9.15% O 31.34% |
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：(I)Copper-catalyzed condensation of 2-methyl-5-nitrophenol (I) with 2-chlorobenzoic acid (II) in hot nitrobenzene afforded the diphenyl ether (III). Subsequent cyclization of (III) by means of polyphosphoric acid gave 4-methyl-1-nitro-9H-9-xanthenone (IV). Benzylic bromination of (IV) with N-bromosuccinimide furnished bromide (V). This was finally condensed with imidazole in refluxing acetonitrile to yield the title compound.
| 【1】 Cavalli, A.; Bisi, A.; Recanatini, M.; et al.; A new class of nonsteroidal aromatase inhibitors: Design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase. J Med Chem 2001, 44, 5, 672. |
| 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) | 47763 | 2-methyl-5-nitrophenol; 2-Hydroxy-4-nitrotoluene; 4-Nitro-2-hydroxytoluene; 5-Nitro-2-methylphenol; 5-Nitro-o-cresol | 5428-54-6 | C7H7NO3 | 详情 | 详情 |
| (II) | 10203 | o-Chlorobenzoic acid; 2-Chlorobenzoic acid | 118-91-2 | C7H5ClO2 | 详情 | 详情 |
| (III) | 47764 | 2-(2-methyl-5-nitrophenoxy)benzoic acid | C14H11NO5 | 详情 | 详情 | |
| (IV) | 47765 | 4-methyl-1-nitro-9H-xanthen-9-one | C14H9NO4 | 详情 | 详情 | |
| (V) | 47766 | 4-(bromomethyl)-1-nitro-9H-xanthen-9-one | C14H8BrNO4 | 详情 | 详情 |
Extended Information