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【结 构 式】 
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【分子编号】28543 【品名】(3-[(4-benzyl-1-piperazinyl)[4-(tert-butyl)phenyl]methyl]phenoxy)methyl methyl ether 【CA登记号】 |
【 分 子 式 】C30H38N2O2 【 分 子 量 】458.644 【元素组成】C 78.56% H 8.35% N 6.11% O 6.98% |
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：(VII)Protection of 3-hydroxybenzaldehyde (I) with methoxymethyl chloride afforded the corresponding methoxymethyl ether (II). Subsequent addition of 4-tert-butylphenylmagnesium bromide (III) produced the diarylcarbinol (IV), which was converted to chloride (V) by means of CCl4 and PPh3. Condensation of (V) with 1-benzylpiperazine (VI) yielded the disubstituted piperazine (VII). The methoxymethyl ether of (VII) was finally deprotected with aqueous HCl to provide the title compound.
| 【1】 Liao, S.; Alfaro-Lopez, J.; Shenderovich, M.D.; Hosohata, K.; Lin, J.; Li, X.; Stropova, D.; Davis, P.; Jernigan, K.A.; Porreca, F.; Yamamura, H.I.; Hruby, V.J.; De novo design, synthesis, and biological activities of high-affinity and selective non-peptide agonists of the delta-opioid receptor. J Med Chem 1998, 41, 24, 4767. |
| 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) | 28537 | 3-hydroxybenzaldehyde | 100-83-4 | C7H6O2 | 详情 | 详情 |
| (II) | 28538 | 3-(methoxymethoxy)benzaldehyde | C9H10O3 | 详情 | 详情 | |
| (III) | 28539 | bromo[4-(tert-butyl)phenyl]magnesium | C10H13BrMg | 详情 | 详情 | |
| (IV) | 28540 | [4-(tert-butyl)phenyl][3-(methoxymethoxy)phenyl]methanol | C19H24O3 | 详情 | 详情 | |
| (V) | 28541 | 1-[[4-(tert-butyl)phenyl](chloro)methyl]-3-(methoxymethoxy)benzene | C19H23ClO2 | 详情 | 详情 | |
| (VI) | 28542 | N-Benzylpiperazine; 1-Benzylpiperazine | 2759-28-6 | C11H16N2 | 详情 | 详情 |
| (VII) | 28543 | (3-[(4-benzyl-1-piperazinyl)[4-(tert-butyl)phenyl]methyl]phenoxy)methyl methyl ether | C30H38N2O2 | 详情 | 详情 |
Extended Information