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【结 构 式】 
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【分子编号】42780 【品名】(trimethylsilyl)[(2S,3R,4S,5R,6S)-3,4,5-tris(acetoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl]oxonium trifluoromethanesulfonate 【CA登记号】 |
【 分 子 式 】C17H27F3O13SSi 【 分 子 量 】556.5402896 【元素组成】C 36.69% H 4.89% F 10.24% O 37.37% S 5.76% Si 5.05% |
合成路线1
该中间体在本合成路线中的序号：(II)By condensation of D-glucopyranuronic acid methyl ester (I) with 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol (III) by means of Tms-OTf.
| 【1】 Taraporewala, I.B.; Kauffman, J.M.; Synthesis and structure activity relationships of anti-inflammatory 9,10-dihydro-9-oxo-2-acridine-alkanoic acids and 4-(2-carboxyphenyl)aminobenzenealkanoic acids. J Pharm Sci 1990, 79, 2, 173. |
| 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) | 42279 | 2,2,2-trichloroacetonitrile; Trichloromethylcyanide | 545-06-2 | C2Cl3N | 详情 | 详情 |
| (II) | 42780 | (trimethylsilyl)[(2S,3R,4S,5R,6S)-3,4,5-tris(acetoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl]oxonium trifluoromethanesulfonate | C17H27F3O13SSi | 详情 | 详情 | |
| (III) | 42782 | 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol | 59-02-9 | C29H50O2 | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(II)By condensation of D-glucopyranuronic acid methyl ester (I) with (3R,4S)-3-[3-acetoxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one (III) by means of Tms-OTf.
| 【1】 Taraporewala, I.B.; Kauffman, J.M.; Synthesis and structure activity relationships of anti-inflammatory 9,10-dihydro-9-oxo-2-acridine-alkanoic acids and 4-(2-carboxyphenyl)aminobenzenealkanoic acids. J Pharm Sci 1990, 79, 2, 173. |
| 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) | 42779 | methyl (2S,3R,4S,5R,6S)-3,4,5-tris(acetoxy)-6-hydroxytetrahydro-2H-pyran-2-carboxylate | C13H18O10 | 详情 | 详情 | |
| (II) | 42780 | (trimethylsilyl)[(2S,3R,4S,5R,6S)-3,4,5-tris(acetoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl]oxonium trifluoromethanesulfonate | C17H27F3O13SSi | 详情 | 详情 | |
| (III) | 42152 | (1S)-1-(4-fluorophenyl)-3-[(2S,3R)-1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidinyl]propyl acetate | C26H23F2NO4 | 详情 | 详情 |
合成路线3
该中间体在本合成路线中的序号：(II)By condensation of D-glucopyranuronic acid methyl ester (I) with 3-butyl-3-ethyl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-ol S,S-dioxide (III) by means of Tms-OTf.
| 【1】 Walker, E.H.; Palomino, E.; Blumenthal, S.L.; Carbohydrate prodrugs: potential use for in situ activation and drug delivery. Drugs Fut 1991, 16, 11, 1029. |
| 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) | 42779 | methyl (2S,3R,4S,5R,6S)-3,4,5-tris(acetoxy)-6-hydroxytetrahydro-2H-pyran-2-carboxylate | C13H18O10 | 详情 | 详情 | |
| (II) | 42780 | (trimethylsilyl)[(2S,3R,4S,5R,6S)-3,4,5-tris(acetoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl]oxonium trifluoromethanesulfonate | C17H27F3O13SSi | 详情 | 详情 | |
| (III) | 42781 | 3-butyl-3-ethyl-8-hydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-1lambda(6),4-benzothiazepine-1,1-dione | C21H27NO3S | 详情 | 详情 |