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Boron trifluoride → HCID 58550953、化合物

HRID 1908013
ノート
印刷プレビュー

反応式

HRID 1908013 の反応式
[CH:1]([O:8][CH2:9][CH3:10])([O:5][CH2:6][CH3:7])OCC.B(F)(F)F.[O:15]=[C:16]1[C:40]2[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=2)[O:34][C:18]2([CH2:23][CH2:22][N:21]([C:24]([O:26][CH2:27][C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)=[O:25])[CH2:20][CH2:19]2)[CH2:17]1.C(N(C(C)C)C(C)C)C>ClCCl>[CH2:9]([O:8][CH:1]([O:5][CH2:6][CH3:7])[CH:17]1[C:18]2([CH2:23][CH2:22][N:21]([C:24]([O:26][CH2:27][C:28]3[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=3)=[O:25])[CH2:20][CH2:19]2)[O:34][C:35]2[C:40](=[CH:39][CH:38]=[CH:37][CH:36]=2)[C:16]1=[O:15])[CH3:10]
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

6

反応物 4

HCID 6356Boron trifluorideHCID 31214Ethyl orthoformateHCID 81531DiisopropylethylamineHCID 30561364Benzyl 4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate

生成物 1

HCID 58550953HCID 58550953、化合物収率 78.7%

試薬・触媒・溶媒 1

HCID 6344
Dichloromethane
溶媒
3 回

反応条件

温度
0 °C

実験手順

To a solution of triethyl orthoformate (71 mL, 0.43 mol)] in dichloromethane (250 mL) at −10° C. under nitrogen was added boron trifluoride diethyletherate (54 mL, 0.43 mol) dropwise over 30 minutes. The mixture was allowed to warm to 0° C. and stirring was continued at 0° C. for 15 minutes. The mixture was then cooled to −78° C. and a solution of benzyl 4-oxospiro[chroman-2,4′-piperidine]-1′-carboxylate (50 g, 0.14 mol) in dichloromethane (250 mL) was added dropwise over 1 hour, followed by N-ethyl-N-isopropylpropan-2-amine (87 mL, 0.50 mol) over 1 hour at −78° C. The mixture was continued to stir at −78° C. for 30 minutes and then at 25° C. for 15 hours. The reaction mixture was diluted with dichloromethane (750 mL) and then partitioned with saturated sodium bicarbonate solution (500 mL). The organic phase was washed with water (500 mL), saturated sodium chloride solution (500 mL), dried over magnesium sulfate and concentrated under reduced pressure. Purification by silica gel flash chromatography (0-50% ethyl acetate in hexane) afforded benzyl 3-(diethoxymethyl)-4-oxospiro[chroman-2,4′-piperidine]-1′-carboxylate (50 g, 78%) as a yellow oil. ESI-MS m/z calc. 453.2. found 408.5 (M+1-OEt)+; Retention time: 2.08 minutes (3 min run).

後処理

  1. temperatureThe mixture was then cooled to −78° C.
  2. stirringto stir at −78° C. for 30 minutes
  3. waitat 25° C. for 15 hours
  4. custompartitioned with saturated sodium bicarbonate solution (500 mL)
  5. washThe organic phase was washed with water (500 mL), saturated sodium chloride solution (500 mL)
  6. dry with materialdried over magnesium sulfate
  7. concentrationconcentrated under reduced pressure
  8. customPurification by silica gel flash chromatography (0-50% ethyl acetate in hexane)

出典と根拠

ORDレコード
ord-30de73e6098d455cb692851748d54488
出典データセット
uspto-grants-2013_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08598164B2

反応ノート

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