|
【结 构 式】 
|
【分子编号】66285 【品名】(R)-3-(methylamino)-1-(thiophen-2-yl)propan-1-ol 【CA登记号】 |
【 分 子 式 】C8H13NOS 【 分 子 量 】171.26336 【元素组成】C 56.11% H 7.65% N 8.18% O 9.34% S 18.72% |
与该中间体有关的原料药合成路线共 3 条
合成路线1
该中间体在本合成路线中的序号：(VIII)
| 【1】 Kamal A, Khanna GBR, et aL 2003.Chemoenzmatic synthesis of duloxetine and its enantiomer: lipasecatalyzed resolution of 3-hydroxy-3-(2-thienyl) propanenitrile Tetrahednm Lett.44: 4783～4787 |
| 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) | 13297 | Thiophene | 110-02-1 | C4H4S | 详情 | 详情 |
| (II) | 66279 | 2-chloro-1-(thiophen-2-yl)ethanone | 29683-77-0 | C6H5ClOS | 详情 | 详情 |
| (III) | 66280 | 2-chloro-1-(thiophen-2-yl)ethanol | C6H7ClOS | 详情 | 详情 | |
| (IV) | 66281 | 3-hydroxy-3-(thiophen-2-yl)propanenitrile | C7H7NOS | 详情 | 详情 | |
| (V) | 66282 | (R)-3-hydroxy-3-(thiophen-2-yl)propanenitrile | C7H7NOS | 详情 | 详情 | |
| (VI) | 66283 | (S)-2-cyano-1-(thiophen-2-yl)ethyl acetate | C9H9NO2S | 详情 | 详情 | |
| (VII) | 66284 | (R)-ethyl (3-hydroxy-3-(thiophen-2-yl)propyl)carbamate | C10H15NO3S | 详情 | 详情 | |
| (VIII) | 66285 | (R)-3-(methylamino)-1-(thiophen-2-yl)propan-1-ol | C8H13NOS | 详情 | 详情 | |
| (X) | 40511 | (1S)-3-(methylamino)-1-(2-thienyl)-1-propanol | 116539-55-0 | C8H13NOS | 详情 | 详情 |
| (XI) | 66286 | (S)-tert-butyl (3-hydroxy-3-(thiophen-2-yl)propyl)(methyl)carbamate | C13H21NO3S | 详情 | 详情 | |
| (XII) | 66287 | (R)-tert-butyl methyl(3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl)carbamate | C23H27NO3S | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(IX)
| 【1】 Panunzio M, Tamanini E,et aL. 2006. 5-Phenylthio-l,3-oxazinan-4-ones via hetero Diels-Alder reactions:synthesis of (R)- and (S)-Duloxetines and Fluoxetines.Tetrahedmn, 62: 12270~12280 |
| 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) | 66288 | (R)-2-((triisopropylsilyl)oxy)propanal | C12H26O2Si | 详情 | 详情 | |
| (II) | 66289 | C15H35NOSi2 | 详情 | 详情 | ||
| (III) | 66290 | C24H41NO2SSi | 详情 | 详情 | ||
| (IV) | 66291 | (2S,5S,6S)-5-(phenylthio)-6-(thiophen-2-yl)-2-((R)-1-((triisopropylsilyl)oxy)ethyl)-1,3-oxazinan-4-one | C25H37NO3S2Si | 详情 | 详情 | |
| (V) | 66292 | (2R,5R,6R)-5-(phenylthio)-6-(thiophen-2-yl)-2-((R)-1-((triisopropylsilyl)oxy)ethyl)-1,3-oxazinan-4-one | C25H37NO3S2Si | 详情 | 详情 | |
| (VI) | 66293 | (2R,6R)-6-(thiophen-2-yl)-2-((R)-1-((triisopropylsilyl)oxy)ethyl)-1,3-oxazinan-4-one | C19H33NO3SSi | 详情 | 详情 | |
| (VII) | 66294 | (2R,6R)-3-methyl-6-(thiophen-2-yl)-2-((R)-1-((triisopropylsilyl)oxy)ethyl)-1,3-oxazinan-4-one | C20H35NO3SSi | 详情 | 详情 | |
| (VIII) | 66295 | (2R,6R)-3-methyl-6-(thiophen-2-yl)-2-((R)-1-((triisopropylsilyl)oxy)ethyl)-1,3-oxazinane | C20H37NO2SSi | 详情 | 详情 | |
| (IX) | 66285 | (R)-3-(methylamino)-1-(thiophen-2-yl)propan-1-ol | C8H13NOS | 详情 | 详情 |
合成路线3
该中间体在本合成路线中的序号：(III)
| 【1】 Liu D,Gao W, et al-2005. Practical synthesis of enantiopure g-amino alcohoLs by rbodium-catalyzed asymmetric hydrogenation of b-secondaryamino ketones. Angew Chem Int Ed, 44t 1687-1689 |
Extended Information