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【结 构 式】 
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【分子编号】25546 【品名】5-[[1,5-bis(4-methoxyphenyl)-1H-pyrazol-3-yl](hydroxy)methyl]-2-chlorobenzoic acid 【CA登记号】 |
【 分 子 式 】C25H21ClN2O5 【 分 子 量 】464.90492 【元素组成】C 64.59% H 4.55% Cl 7.63% N 6.03% O 17.21% |
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：(XVI)An further synthetic route to the intermediate ketoester (XI) is depicted in Scheme 23794901c. Pyrazole aldehyde (XIV) was condensed with 5-bromo-2-chlorobenzoic acid (XV) in the presence of two equivalents of n--BuLi to afford carbinol (XVI). Subsequent reaction of (XVI) with (trimethylsilyl) diazomethane provided methyl ester (XVII). Then, oxidation of (XVII) with activated MnO2 in boiling 1,2-dichloroethane led to the required ketone (XI).
| 【1】 Numata, H.; Okamoto, Y.; Shinoda, M.; Kobayashi, N.; Miyazawa, S.; Kawahara, T.; Shirota, H.; Nagakura, N.; Horizoe, T.; Abe, S.; Kobayashi, S.; Yamanaka, T. (Eisai Co., Ltd.); Pyrazole derivs. exhibiting anti-inflammatory and analgesic effects. JP 1998509140; WO 9614302 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XI) | 25541 | methyl 5-[[1,5-bis(4-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl]-2-chlorobenzoate | C26H21ClN2O5 | 详情 | 详情 | |
| (XIV) | 25544 | 1,5-bis(4-methoxyphenyl)-1H-pyrazole-3-carbaldehyde | C18H16N2O3 | 详情 | 详情 | |
| (XV) | 25545 | 5-bromo-2-chlorobenzoic acid | 21739-92-4 | C7H4BrClO2 | 详情 | 详情 |
| (XVI) | 25546 | 5-[[1,5-bis(4-methoxyphenyl)-1H-pyrazol-3-yl](hydroxy)methyl]-2-chlorobenzoic acid | C25H21ClN2O5 | 详情 | 详情 | |
| (XVII) | 25547 | methyl 5-[[1,5-bis(4-methoxyphenyl)-1H-pyrazol-3-yl](hydroxy)methyl]-2-chlorobenzoate | C26H23ClN2O5 | 详情 | 详情 |
Extended Information