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Hydrochloric Acid → 2H-1-Benzopyran-2-methanol, alpha,alpha'-(iminobis(methylene))bis(6-fluoro-3,4-dihydro-, hydrochloride (1:1), (alphaR,alpha'R,2R,2'S)-rel-

HRID 1424695
ノート
印刷プレビュー

反応式

HRID 1424695 の反応式
[NH:1]([CH2:16][C@@H:17]([C@H:19]1[CH2:24][CH2:23][C:22]2[CH:25]=[C:26]([F:29])[CH:27]=[CH:28][C:21]=2[O:20]1)[OH:18])[CH2:2][C@@H:3]([C@@H:5]1[CH2:10][CH2:9][C:8]2[CH:11]=[C:12]([F:15])[CH:13]=[CH:14][C:7]=2[O:6]1)[OH:4].[ClH:30]>CC(O)CC.O>[ClH:30].[NH:1]([CH2:16][C@@H:17]([C@H:19]1[CH2:24][CH2:23][C:22]2[CH:25]=[C:26]([F:29])[CH:27]=[CH:28][C:21]=2[O:20]1)[OH:18])[CH2:2][C@@H:3]([C@@H:5]1[CH2:10][CH2:9][C:8]2[CH:11]=[C:12]([F:15])[CH:13]=[CH:14][C:7]=2[O:6]1)[OH:4]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

5

反応物 2

HCID 313Hydrochloric AcidHCID 9844194(-)-Nebivolol

生成物 1

HCID 116263842H-1-Benzopyran-2-methanol, alpha,alpha'-(iminobis(methylene))bis(6-fluoro-3,4-dihydro-, hydrochloride (1:1), (alphaR,alpha'R,2R,2'S)-rel-収率 94.8%

試薬・触媒・溶媒 2

HCID 962Water溶媒HCID 6568(+-)-2-Butanol溶媒

反応条件

温度
70 °C

実験手順

(±)[R*,S*,S*,S*]-α,α′-[imino-bis (methylene)] bis [6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol] (3.106 g; 96.6% w/w; 0.00740 mol) was dissolved in a mixture of 2-butanol (33.1 g) and water (2.0 g). Aq. conc. (about 31%) hydrochloric acid (1.1 g; 0.00903 mol) was added to the solution under stirring at 70±2° C. The resulting mixture was heated at 70±2° C. for 2 hours, then cooled to 20±2° C. over 2 hours and maintained at this temperature for further 2 hours obtaining the product precipitation. The solid was isolated by filtration, washing with 2-butanol (2×2 g), and dried under vacuum at 60° C. to give the title compound as a white solid (3.1 g, 98.3% w/w assay (HPLC); 93.2% molar yield). Purity Profile (HPLC): Sum of Impurities=0.224% w/w; Max Single Impurity (“de-F” Nebivolol)=0.178% w/w.

後処理

  1. temperatureThe resulting mixture was heated at 70±2° C. for 2 hours
  2. temperaturecooled to 20±2° C. over 2 hours
  3. temperaturemaintained at this temperature for further 2 hours
  4. customobtaining
  5. customthe product precipitation
  6. customThe solid was isolated by filtration
  7. washwashing with 2-butanol (2×2 g)
  8. customdried under vacuum at 60° C.

出典と根拠

ORDレコード
ord-c6eeb6422bb649d5ab8e30cc7ad16b56
出典データセット
uspto-grants-2015_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08927742B2

反応ノート

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