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【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