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【结 构 式】 
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【分子编号】51034 【品名】 【CA登记号】 |
【 分 子 式 】C48H80O40 【 分 子 量 】1297.1392 【元素组成】C 44.45% H 6.22% O 49.34% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号：(III)Condensation of phenetidine (I) with 1-ethynyl-1-chlorocyclohexane (II) by means of CuCl and Et3N gave the propargyl aniline (III). This was then cyclized in the presence of copper catalyst in refluxing toluene to furnish the target dihydroquinoline.
| 【1】 Dorey, G.; Lestage, P.; Casara, P.; Lockhart, B.; New quinolinic derivatives as centrally active antioxidants. Bioorg Med Chem Lett 2000, 10, 9, 935. |
| 【2】 Lestage, P.; Dorey, G.; Casara, P.; Lockhart, B. (ADIR et Cie.); Derivs. of dihydro- and tetrahydrochinoline as a medicinal antioxidants. EP 0995743; FR 2784988; JP 2000128865 . |
| 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) | 45939 | 4-Aminophenetole; 1-Amino-4-ethoxybenzene; 4-Aminoethoxybenzene; 4-Ethoxyphenylamine; p-Phenetidine; 4-Ethoxyaniline | 156-43-4 | C8H11NO | 详情 | 详情 |
| (II) | 51033 | 2-[3-[1,1'-biphenyl]-4-yl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetyl chloride | C24H16ClF3N2O | 详情 | 详情 | |
| (III) | 51034 | C48H80O40 | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(I)Gamma-cyclodextrin (I) was converted to the halogen derivative (II) by treatment with iodine or bromine and triphenylphosphine. Nucleophilic displacement of the halogen atoms of (II) with the sodium salt of 3-mercaptopropionic acid furnished the title compound
| 【1】 Bom, A.; Bennet, D.J.; Adam, J.M.; et al.; Cyclodextrin-derived host molecules as reversal agents for the neuromuscular blocker rocuronium bromide: Synthesis and structure-activity relationships. J Med Chem 2002, 45, 9, 1806. |
| 【2】 Bennet, D.J.; Palin, R.; Zhang, M. (Akzo Nobel N.V.); 6-Mercapto-cyclodextrin derivs.: Reversal agents for drug-induced neuromuscular block. WO 0140316 . |
Extended Information