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Carbazole → 4-Carbazol-9-ylmethylbenzoic acid methyl ester

HRID 403632
ノート
印刷プレビュー

反応式

HRID 403632 の反応式
[CH:1]1[C:13]2[NH:12][C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][CH:2]=1.[H-].[Na+].[CH3:16][O:17][C:18](=[O:27])[C:19]1[CH:24]=[CH:23][C:22]([CH2:25]Br)=[CH:21][CH:20]=1>CN(C=O)C.[I-].[K+]>[CH3:16][O:17][C:18](=[O:27])[C:19]1[CH:24]=[CH:23][C:22]([CH2:25][N:12]2[C:11]3[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=3[C:5]3[C:13]2=[CH:1][CH:2]=[CH:3][CH:4]=3)=[CH:21][CH:20]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 3

HCID 6854CarbazoleHCID 24758Sodium hydrideHCID 256687Methyl 4-(bromomethyl)benzoate

生成物 1

HCID 668730724-Carbazol-9-ylmethylbenzoic acid methyl ester収率 50.2%

試薬・触媒・溶媒 2

HCID 4875Potassium Iodide触媒HCID 6228Dimethylformamide
溶媒

実験手順

Carbazole (1.0 g, 6.0 mmol) and sodium hydride (60 wt. % in mineral oil, 0.14 g, 6.0 mmol) were placed under argon and dissolved in 5 mL of DMF. The mixture was stirred at room temperature for 30 min, followed by addition of 4-bromomethylbenzoic acid methyl ester (1.4 g, 6.0 mmol) and 5 mg of potassium iodide. The reaction was heated to 80° C. for 2 h upon which a precipitate formed and the reaction turned from dark brown to dark orange. The reaction was then quenched with water (30 mL) and ethyl acetate (30 mL). The organic layer was isolated and the aqueous layer extracted with ethyl acetate (2×10 mL). The combined organic layers were washed with water (2×20 mL), brine (15 mL), dried (Na2SO4) and concentrated in vacuo. Purification by column chromatography (0-80% gradient of ethyl acetate in hexane) afforded the title compound (0.95 g, 50%) as a light yellow solid. 1H NMR (400 MHz, DMSO): δ 8.19 (d, 2H, J=7.7 Hz), 7.51 (d, 2H, J=8.3 Hz), 7.41 (m, 4H), 7.23 (m, 4H), 5.74 (s, 2H), 3.79 (s, 3H). 13C NMR (100 MHz, DMSO): δ 166.4, 143.8, 129.9, 127.3, 126.4, 125.9, 120.8, 119.6, 118.9, 111.4, 109.9, 52.5, 45.8. ESI-HRMS (m/z): [M+H]+ calcd. for C21H17NO2, 316.1323. found, 316.1314.

後処理

  1. temperatureThe reaction was heated to 80° C. for 2 h upon which a precipitate
  2. customformed
  3. customThe reaction was then quenched with water (30 mL) and ethyl acetate (30 mL)
  4. customThe organic layer was isolated
  5. extractionthe aqueous layer extracted with ethyl acetate (2×10 mL)
  6. washThe combined organic layers were washed with water (2×20 mL), brine (15 mL)
  7. dry with materialdried (Na2SO4)
  8. concentrationconcentrated in vacuo
  9. customPurification by column chromatography (0-80% gradient of ethyl acetate in hexane)

出典と根拠

ORDレコード
ord-1385c1a6cfce40c691ddb54d64d3b6c1
出典データセット
uspto-grants-2014_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08748451B2

反応ノート

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