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2-Aminophenol → (4-Benzooxazol-2-ylmethyl-phenyl)-methanol

HRID 1799060
ノート
印刷プレビュー

反応式

HRID 1799060 の反応式
[OH:1][CH2:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][C:10]([OH:12])=O)=[CH:5][CH:4]=1.[NH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=1O.C(N1C=CN=C1)(N1C=CN=C1)=O>C1COCC1>[O:12]1[C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][C:14]=2[N:13]=[C:10]1[CH2:9][C:6]1[CH:5]=[CH:4][C:3]([CH2:2][OH:1])=[CH:8][CH:7]=1
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 3

HCID 58012-AminophenolHCID 682631,1'-CarbonyldiimidazoleHCID 32834984-(Hydroxymethyl)phenylacetic acid

生成物 1

HCID 67207309(4-Benzooxazol-2-ylmethyl-phenyl)-methanol収率 20.8%

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

反応条件

温度
180 °C

実験手順

A mixture of (4-hydroxymethyl-phenyl)-acetic acid (5.0 g, 30.1 mmol) and 2-amino-phenol (6.6 g, 60.2 mmol) was heated at 180° C. for 3 h. The crude residue was cooled and then dissolved in THF (50 mL). The resulting solution was treated with carbonyldiimidazole (3.7 g, 22.5 mmol) and stirred at 80° C. for 72 h. The reaction mixture was then partitioned between EtOAc (200 mL) and water (200 mL). The organic layer was dried (MgSO4), filtered and concentrated. Purification by silica gel flash chromatography (0% to 80% EtOAc in hexanes) followed by a second silica gel flash chromatography (0% to 10% CH3OH in CH2Cl2) afforded a colorless oil. The crude oil was then partitioned between EtOAc (200 mL) and 1 N NaOH (200 mL). The organic layer was dried (MgSO4), filtered and concentrated to afford the title compound as a colorless oil (1.5 g, 20%). MS (ESI): mass calcd. for C15H13NO2, 239.09; m/z found, 240.1 [M+H]+. 1H NMR (500 MHz, CDCl3): 7.70-7.68 (m, 1H), 7.49-7.46 (m, 1H), 7.40-7.35 (m, 4H), 7.33-7.29 (m, 2H), 4.69 (br d, J=4.5 Hz, 2H), 4.28 (s, 2H).

後処理

  1. customThe reaction mixture was then partitioned between EtOAc (200 mL) and water (200 mL)
  2. dry with materialThe organic layer was dried (MgSO4)
  3. filtrationfiltered
  4. concentrationconcentrated
  5. customPurification by silica gel flash chromatography (0% to 80% EtOAc in hexanes)
  6. customafforded a colorless oil
  7. customThe crude oil was then partitioned between EtOAc (200 mL) and 1 N NaOH (200 mL)
  8. dry with materialThe organic layer was dried (MgSO4)
  9. filtrationfiltered
  10. concentrationconcentrated

出典と根拠

ORDレコード
ord-1c4164f17e9f4496980808e624f5638c
出典データセット
uspto-grants-2013_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08344008B2

反応ノート

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