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Thiourea → 5-Fluoro-2-methoxyaniline

HRID 1771480
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HRID 1771480 반응식
[F:1][C:2]1[CH:3]=[CH:4][C:5]([O:15][CH3:16])=[C:6]([CH:14]=1)CC1SC(N)=NC=1.ClC(CC1C=C(F)C=CC=1OC)C=O.[NH2:31]C(N)=S>C(O)C>[F:1][C:2]1[CH:3]=[CH:4][C:5]([O:15][CH3:16])=[C:6]([NH2:31])[CH:14]=1
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참가 물질

5

반응물 3

HCID 2723790ThioureaHCID 580329635-(5-Fluoro-2-methoxybenzyl)thiazol-2-amineHCID 580330952-Chloro-3-(5-fluoro-2-methoxy-phenyl)-propionaldehyde

생성물 1

HCID 2231055-Fluoro-2-methoxyaniline

시약·촉매·용매 1

HCID 702Ethanol용매

실험 절차

5-(5-Fluoro-2-methoxy-benzyl)-thiazol-2-ylamine A mixture of 2-chloro-3-(5-fluoro-2-methoxy-phenyl)-propionaldehyde (crude from above) and thiourea (29.2 g, 0.384 mol) in ethanol (400 mL) was heated to reflux for 15 hours. The solvent was removed and the residue was diluted with dichloromethane (300 mL), sodium hydroxide (10% aqueous solution, 150 mL) and water (200 mL). The aqueous phase was extracted twice with dichloromethane (150 mL). The combined organic layer was washed with water, a saturated aqueous solution of sodium chloride, dried over sodium sulfate, and evaporated to dryness. The crude product was recrystallized from a mixture of ethyl acetate and hexanes to give the pure product (6.5 g, 0.027 mol, 6.2% from 5-fluoro-2-methoxy-phenylamine). ESI-MS m/z calc. 238.1, found 239.2 (M+1)+ 1H NMR (CDCl3): δ 6.90-6.81 (m, 2 H), 6.79-6.76 (m, 2 H), 4.75 (br, 2 H), 3.91 (s, 2 H), 3.82 (s, 3 H).

후처리

  1. temperaturewas heated
  2. temperatureto reflux for 15 hours
  3. customThe solvent was removed
  4. additionthe residue was diluted with dichloromethane (300 mL), sodium hydroxide (10% aqueous solution, 150 mL) and water (200 mL)
  5. extractionThe aqueous phase was extracted twice with dichloromethane (150 mL)
  6. washThe combined organic layer was washed with water
  7. dry with materiala saturated aqueous solution of sodium chloride, dried over sodium sulfate
  8. customevaporated to dryness
  9. customThe crude product was recrystallized from a mixture of ethyl acetate and hexanes

출처 및 근거

ORD 기록
ord-72d703aff7e44e6583fd0134b41073bc
출처 데이터셋
uspto-grants-2016_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09249131B2

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