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Methanol → 4-Amino-5-iodo-2-(trifluoromethyl)benzonitrile

HRID 55962
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HRID 55962 반응식
[NH2:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([C:10]([F:13])([F:12])[F:11])[CH:3]=1.O.C1(C)C=CC(S(O)(=O)=O)=CC=1.CO.[I:28]N1C(=O)CCC1=O>[Al].C1COCC1>[NH2:1][C:2]1[C:9]([I:28])=[CH:8][C:5]([C:6]#[N:7])=[C:4]([C:10]([F:11])([F:12])[F:13])[CH:3]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 887MethanolHCID 120273N-IodosuccinimideHCID 521998p-Toluenesulfonic acid monohydrateHCID 5221704-Amino-2-(trifluoromethyl)benzonitrile

생성물 1

HCID 250673774-Amino-5-iodo-2-(trifluoromethyl)benzonitrile

시약·촉매·용매 2

HCID 8028Tetrahydrofuran용매
HCID 5359268
Aluminum
용매

실험 절차

4-Amino-2-trifluoromethyl-benzonitrile (20.44 g, 109.79 mmoles) and p-toluenesulfonic acid monohydrate (1.05 g, 5.52 mmoles) were dissolved methanol (200 mL) and THF (200 mL), and the reaction mixture was stirred under a nitrogen atmosphere. The reaction vessel was wrapped in aluminium foil, while the solution was stirred for 20 min., then N-iodosuccinimide (30.41 g, 135.17 mmoles) was added and the reaction was allowed to stir overnight (16 hrs). The reaction mixture was concentrated in vacuo, triturated with hexanes (3×400 mL) and concentrated to dryness. The crude solid was dissolved in diethyl ether (400 mL), washed with water (3×), the organic extracts were diluted with hexanes (400 mL) and a white solid precipitated. The solid was filtered and dried in a vacuum oven (35° C. @ 762 Torr) overnight to yield the title compound.

후처리

  1. stirringwhile the solution was stirred for 20 min.
  2. stirringto stir overnight (16 hrs)
  3. concentrationThe reaction mixture was concentrated in vacuo
  4. customtriturated with hexanes (3×400 mL)
  5. concentrationconcentrated to dryness
  6. dissolutionThe crude solid was dissolved in diethyl ether (400 mL)
  7. washwashed with water (3×)
  8. additionthe organic extracts were diluted with hexanes (400 mL)
  9. customa white solid precipitated
  10. filtrationThe solid was filtered
  11. customdried in a vacuum oven (35° C. @ 762 Torr) overnight

출처 및 근거

ORD 기록
ord-1a95de0f49494be9891b705ba09698b7
출처 데이터셋
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09434688B2

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