【结 构 式】 |
【分子编号】67318 【品名】(S)-1-((R)-6-fluorochroman-2-yl)-2-(((S)-2-((S)-6-fluorochroman-2-yl)-2-hydroxyethyl)(phenyl)amino)ethanol 【CA登记号】 |
【 分 子 式 】C28H29F2NO4 【 分 子 量 】481.539 【元素组成】C 69.84% H 6.07% F 7.89% N 2.91% O 13.29% |
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:(XIII)
【1】 Volpicelli R, Maragni P, Cotarca L, et al.2008.Process for preparation nebivolol. WO 2008064827. |
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) | 36759 | (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde | 15186-48-8 | C6H10O3 | 详情 | 详情 |
(II) | 67309 | 1-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol | C8H14O3 | 详情 | 详情 | |
(III) | 67310 | (4S)-4-(1-(2-bromo-4-fluorophenoxy)allyl)-2,2-dimethyl-1,3-dioxolane | C14H16BrFO3 | 详情 | 详情 | |
(IV) | 67311 | 9-(3-(2-bromo-4-fluorophenoxy)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl)-9-borabicyclo[3.3.1]nonane | C22H31BBrFO3 | 详情 | 详情 | |
(V) | 67312 | 2-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-6-fluorochroman | C14H17FO3 | 详情 | 详情 | |
(VI) | 67313 | (S)-1-((R)-6-fluorochroman-2-yl)ethane-1,2-diol | C11H13FO3 | 详情 | 详情 | |
(VII) | 67314 | (S)-1-((S)-6-fluorochroman-2-yl)ethane-1,2-diol | C11H13FO3 | 详情 | 详情 | |
(VIII) | 67315 | (S)-2-((R)-6-fluorochroman-2-yl)-2-hydroxyethyl 4-methylbenzenesulfonate | C18H19FO5S | 详情 | 详情 | |
(IX) | 67316 | C11H11FO2 | 详情 | 详情 | ||
(X) | 67317 | 2-(benzylamino)-1-(6-fluorochroman-2-yl)ethanol | C18H20FNO2 | 详情 | 详情 | |
(XI) | 40857 | (2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl 4-methylbenzenesulfonate | C18H19FO5S | 详情 | 详情 | |
(XII) | 67300 | (R)-6-fluoro-2-((R)-oxiran-2-yl)chroman | C11H11FO2 | 详情 | 详情 | |
(XIII) | 67318 | (S)-1-((R)-6-fluorochroman-2-yl)-2-(((S)-2-((S)-6-fluorochroman-2-yl)-2-hydroxyethyl)(phenyl)amino)ethanol | C28H29F2NO4 | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号:(VIII)
【1】 Sheth R, Attanti SV, Patel HM, et al.2006.Nebivolol and its pharmaceutically acceptable salts, process for preparation and pharmaceutical compositions of nebivolol. WO 2006025070. |
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) | 60391 | 1-(5-fluoro-2-hydroxyphenyl)-1-ethanone | 394-32-1 | C8H7FO2 | 详情 | 详情 |
(II) | 67329 | 6-fluoro-4-oxo-4H-chromene-2-carboxylic acid, sodium salt | C10H5FO4.Na | 详情 | 详情 | |
(III) | 19528 | 6-fluoro-2-chromanecarboxylic acid | C10H9FO3 | 详情 | 详情 | |
(IV) | 67330 | (6-fluorochroman-2-yl)(piperidin-1-yl)methanone | C15H18FNO2 | 详情 | 详情 | |
(V) | 19529 | 6-fluoro-2-chromanecarbaldehyde | C10H9FO2 | 详情 | 详情 | |
(VI) | 40863 | (2R)-6-fluoro-2-[(2R)oxiranyl]-3,4-dihydro-2H-chromene | C11H11FO2 | 详情 | 详情 | |
(VII) | 67317 | 2-(benzylamino)-1-(6-fluorochroman-2-yl)ethanol | C18H20FNO2 | 详情 | 详情 | |
(VIII) | 67318 | (S)-1-((R)-6-fluorochroman-2-yl)-2-(((S)-2-((S)-6-fluorochroman-2-yl)-2-hydroxyethyl)(phenyl)amino)ethanol | C28H29F2NO4 | 详情 | 详情 | |
(XI) | 67300 | (R)-6-fluoro-2-((R)-oxiran-2-yl)chroman | C11H11FO2 | 详情 | 详情 |
合成路线3
该中间体在本合成路线中的序号:(XIII)
【1】 Trinka P, Reiter J, Beracz G, et al. 2004. New process for the preparation of racemic ([2S [2R * [R[R*]]]]) and ([2R [2S * [S[S*]]]]) -(+-)-α,α'-[imino-bis (methylene)] bis [6-fluoro-chroman-2-methanol] and its pure [2S [2R * [R[R*]]]]) -, and [2R [2S * [S[S*]]]] enantionmers. WO 2004041805. |
中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
---|---|---|---|---|---|---|
(XV) | 67337 | (S)-2-((S)-1,2-dihydroxyethyl)-6-fluorochroman-4-one | C11H11FO4 | 详情 | 详情 | |
(X) | 67339 | (R)-1-((S)-6-fluorochroman-2-yl)-2-(phenylamino)ethanol | C17H18FNO2 | 详情 | 详情 | |
(I) | 19639 | 4-fluorophenol | 371-41-5 | C6H5FO | 详情 | 详情 |
(II) | 67331 | 2-chloro-1-(5-fluoro-2-hydroxyphenyl)ethanone | C8H6ClFO2 | 详情 | 详情 | |
(III) | 67332 | (2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl)triphenylphosphonium chloride | C26H21ClFO2P | 详情 | 详情 | |
(IV) | 67333 | 1-(5-fluoro-2-hydroxyphenyl)-2-(triphenylphosphoranylidene)ethanone | C26H20FO2P | 详情 | 详情 | |
(V) | 67334 | (R,E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one | C14H15FO4 | 详情 | 详情 | |
(VI) | 67335 | 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-fluorochroman-4-one | C14H15FO4 | 详情 | 详情 | |
(VII) | 67336 | (S)-2-((R)-1,2-dihydroxyethyl)-6-fluorochroman-4-one | C11H11FO4 | 详情 | 详情 | |
(VIII) | 40857 | (2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl 4-methylbenzenesulfonate | C18H19FO5S | 详情 | 详情 | |
(IX) | 67338 | (S)-6-fluoro-2-((R)-oxiran-2-yl)chroman | C11H11FO2 | 详情 | 详情 | |
(XI) | 40862 | (2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl 4-methylbenzenesulfonate | C18H19FO5S | 详情 | 详情 | |
(XII) | 40863 | (2R)-6-fluoro-2-[(2R)oxiranyl]-3,4-dihydro-2H-chromene | C11H11FO2 | 详情 | 详情 | |
(XIII) | 67318 | (S)-1-((R)-6-fluorochroman-2-yl)-2-(((S)-2-((S)-6-fluorochroman-2-yl)-2-hydroxyethyl)(phenyl)amino)ethanol | C28H29F2NO4 | 详情 | 详情 |
Extended Information