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Acetic Anhydride → N-(2-Methyl-1,2,3,4-tetrahydro-7-isoquinolinyl)acetamide

HRID 1669184
ノート
印刷プレビュー

反応式

HRID 1669184 の反応式
[CH3:1][N:2]1[CH2:11][CH2:10][C:9]2[C:4](=[CH:5][C:6]([N+:12]([O-])=O)=[CH:7][CH:8]=2)[CH2:3]1.[CH3:15][C:16](OC(C)=O)=[O:17]>CCO.[Pd]>[CH3:1][N:2]1[CH2:11][CH2:10][C:9]2[C:4](=[CH:5][C:6]([NH:12][C:16](=[O:17])[CH3:15])=[CH:7][CH:8]=2)[CH2:3]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 2

HCID 7918Acetic AnhydrideHCID 221158282-Methyl-7-nitro-1,2,3,4-tetrahydroisoquinoline

生成物 1

HCID 25139890N-(2-Methyl-1,2,3,4-tetrahydro-7-isoquinolinyl)acetamide収率 79.1%

試薬・触媒・溶媒 2

HCID 23938Palladium触媒HCID 702Ethanol溶媒

反応条件

温度
20 °C

実験手順

A solution of isoquinoline 252 (2.5 g, 13.0 mmol) in EtOH (200 mL) was stirred with Pd/C (5%, 200 mg) under H2 (35 psi) for 4 h. The solution was filtered through Celite, washed with EtOH (50 mL) and the solvent was evaporated. The residue was dissolved in dioxane (50 mL), Ac2O (2.7 mL, 28.6 mmol) was added and the solution stirred at 20° C. for 16 h. The solvent was evaporated and the residue was partitioned between dilute aqueous NH3 solution (50 mL) and DCM (50 mL). The aqueous layer was extracted with DCM (4×125 mL), the combined organic fraction dried and the solvent evaporated. The residue was purified by chromatography, eluting with 5% MeOH/DCM, to give acetamide 253 (2.1 g, 77%) as a brown solid: mp 157-159° C.; 1H NMR δ 7.29 (br s, 1H, H-8), 7.27 (br s, 1H, H-6), 7.22 (br s, 1H, NH), 7.12 (br d, J=8.1 Hz, 1H, H-5), 4.18 (d, J=16.2 Hz, 1H, H-1), 3.82 (d, J=16.1 Hz, 1H, H-1), 3.11-3.25 (m, 2H, H-3), 2.91-3.00 (m, 2H, H-4), 2.61 (s, 3H, NCH3), 2.16 (s, 3H, COCH3); 13C NMR δ 168.3, 136.6, 131.0, 129.2, 126.6, 119.2, 118.1, 61.5, 56.6, 47.3, 24.5, 24.0; MS (APCI) m/z 205 (MH+, 100%). Anal. calcd for C12H16N2O.½CH3OH.½H2O: C, 65.5; H, 8.4; N, 12.2. Found: C, 65.8; H, 8.8; N, 12.6%.

後処理

  1. filtrationThe solution was filtered through Celite
  2. washwashed with EtOH (50 mL)
  3. customthe solvent was evaporated
  4. dissolutionThe residue was dissolved in dioxane (50 mL)
  5. customThe solvent was evaporated
  6. customthe residue was partitioned between dilute aqueous NH3 solution (50 mL) and DCM (50 mL)
  7. extractionThe aqueous layer was extracted with DCM (4×125 mL)
  8. customthe combined organic fraction dried
  9. customthe solvent evaporated
  10. customThe residue was purified by chromatography
  11. washeluting with 5% MeOH/DCM

出典と根拠

ORDレコード
ord-a168508653a14b839da51fb460015094
出典データセット
uspto-grants-2011_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07989451B2

反応ノート

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