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Trifluoroacetic acid → N-(2-Aminophenyl)-7-methoxy-7-[4-(N,N-dimethylamino)phenyl]-2,4-heptadienamide

HRID 1182452
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HRID 1182452 반응식
[CH3:1][O:2][CH:3]([C:12]1[CH:17]=[CH:16][C:15]([N:18]([CH3:20])[CH3:19])=[CH:14][CH:13]=1)[CH2:4][CH:5]=[CH:6][CH:7]=[CH:8][C:9]([OH:11])=O.C(N1C=CN=C1)(N1C=CN=C1)=O.[C:33]1([NH2:40])[CH:38]=[CH:37][CH:36]=[CH:35][C:34]=1[NH2:39].FC(F)(F)C(O)=O>C1COCC1.C(OCC)(=O)C>[NH2:39][C:34]1[CH:35]=[CH:36][CH:37]=[CH:38][C:33]=1[NH:40][C:9](=[O:11])[CH:8]=[CH:7][CH:6]=[CH:5][CH2:4][CH:3]([O:2][CH3:1])[C:12]1[CH:17]=[CH:16][C:15]([N:18]([CH3:20])[CH3:19])=[CH:14][CH:13]=1
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참가 물질

7

반응물 4

HCID 6422Trifluoroacetic acidHCID 7243O-PhenylenediamineHCID 682631,1'-CarbonyldiimidazoleHCID 724803387-Methoxy-7-[4-(N,N-dimethylamino)phenyl]-2,4-heptadienoic acid

생성물 1

HCID 86585715N-(2-Aminophenyl)-7-methoxy-7-[4-(N,N-dimethylamino)phenyl]-2,4-heptadienamide수율 42%

시약·촉매·용매 2

HCID 8028
Tetrahydrofuran
용매
HCID 8857Ethyl Acetate용매

실험 절차

To a solution of carboxylic acid 16 (207 mg, 0.753 mmol) in anhydrous THF (10 mL) was added 1,1′-carbonyldiimidazole (128 mg, 0.790 mmol) at rt, and the mixture was stirred overnight. To the resulting solution was added 1,2-phenylenediamine (570 mg, 5.27 mmol), followed by trifluoroacetic acid (52 μl ), and the reaction mixture was stirred for 16 h at rt. The reaction mixture was diluted with ethyl acetate (30 mL), washed with saturated NaHCO3 solution (5 mL) and then water (10 mL), dried (MgSO4), and concentrated. Purification by flash silica gel chromatography (50% ethyl acetate in toluene) afforded the title compound 20 (115 mg, 42% yield): 1H NMR (300 MHz, CDCl3) δ 7.44 (br. s, 1H), 7.01-7.29 (m, 5H), 6.70-6.78 (m, 4H), 6.09 (m, 2H), 5.90 (d, J=15.0 Hz, 1H), 4.10 (br. t, J=6.6 Hz, 1H), 3.89 (br. s, 2H), 3.18 (s, 3H), 2.95 (s, 3H), 2.66 (m, 1H), 2.50 (m, 1H); 13C NMR (75.4 MHz, CDCl3) δ 40.5, 41.6, 82.8, 112.3, 118.1, 119.4, 121.7, 124.4, 125.1, 127.0, 127.6, 128.6, 130.0, 140.0, 140.8, 142.5, 150.2, 164.7.

후처리

  1. stirringthe reaction mixture was stirred for 16 h at rt
  2. washwashed with saturated NaHCO3 solution (5 mL)
  3. dry with materialwater (10 mL), dried (MgSO4)
  4. concentrationconcentrated
  5. customPurification by flash silica gel chromatography (50% ethyl acetate in toluene)

출처 및 근거

ORD 기록
ord-d137d314f9764a3c9c483e121285fb45
출처 데이터셋
uspto-grants-2007_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07288567B2

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