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Methylparaben → 4-[5-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-pentyloxy]-benzoic acid methyl ester

HRID 723221
ノート
印刷プレビュー

反応式

HRID 723221 の反応式
[CH3:1][O:2][C:3](=[O:11])[C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[CH:6][CH:5]=1.Br[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][N:18]1[C:26](=[O:27])[C:25]2[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=2)[C:19]1=[O:28].C([O-])([O-])=O.[K+].[K+]>CC(C)=O>[CH3:1][O:2][C:3](=[O:11])[C:4]1[CH:9]=[CH:8][C:7]([O:10][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][N:18]2[C:19](=[O:28])[C:20]3[C:25](=[CH:24][CH:23]=[CH:22][CH:21]=3)[C:26]2=[O:27])=[CH:6][CH:5]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 7456MethylparabenHCID 11430Potassium CarbonateHCID 136770N-(5-Bromopentyl)phthalimide

生成物 1

HCID 575322284-[5-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-pentyloxy]-benzoic acid methyl ester収率 83%

試薬・触媒・溶媒 1

HCID 180Acetone溶媒

実験手順

A mixture of 4-hydroxy-benzoic acid methyl ester (3.01 g, 19.8 mmol), 2-(5-bromo-pentyl)-isoindole-1,3-dione (3.9 g, 13.2 mmol), and K2CO3 (1.82 g, 13.2 mmol) in acetone (150 mL) was heated to reflux for 24 hrs. The reaction mixture was cooled to rt and the solvents were removed in vacuo. The crude was diluted in EtOAc and washed with 1N NaOH and brine. The organic layer was dried over sodium sulfate. The solvents were removed in vacuo. The crude was recrystallized from EtOAc to afford the title compound as a white solid (4 g, 83%). 1H-NMR (CDCl3): δ 7.95–7.98 (m, 2H), 7.83–7.86 (m, 2H), 7.70–7.73 (m, 2H), 6.86–6.89 (m, 2H), 4.00 (t, 2H, J=6.22 Hz), 3.88 (s, 3H), 3.73 (t, 2H, J=7.29 Hz), 1.82–1.89 (m, 2H), 1.73–1.81 (m, 2H), 1.50–1.57 (m, 2H).

後処理

  1. temperaturewas heated
  2. temperatureto reflux for 24 hrs
  3. customthe solvents were removed in vacuo
  4. additionThe crude was diluted in EtOAc
  5. washwashed with 1N NaOH and brine
  6. dry with materialThe organic layer was dried over sodium sulfate
  7. customThe solvents were removed in vacuo
  8. customThe crude was recrystallized from EtOAc

出典と根拠

ORDレコード
ord-fb6e2a94f45b4c78b758347b9834163c
出典データセット
uspto-grants-2006_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07138530B2

反応ノート

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