Trifluoroacetic acid → Anticancer agent 95

HRID 547457노트

반응식

HRID 547457 반응식
[CH2:1]([N:8]1[C:17](=[O:18])[C:16]2[C:11](=[CH:12][C:13]([Cl:19])=[CH:14][CH:15]=2)[N:10]=[C:9]1[CH:20]([N:26]([C:38](=[O:46])[C:39]1[CH:44]=[CH:43][C:42]([CH3:45])=[CH:41][CH:40]=1)[CH2:27][CH2:28][CH2:29][NH:30]C(=O)OC(C)(C)C)[C:21]([N:23]([CH3:25])[CH3:24])=[O:22])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.FC(F)(F)C(O)=O>C(Cl)Cl>[NH2:30][CH2:29][CH2:28][CH2:27][N:26]([CH:20]([C:9]1[N:8]([CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[C:17](=[O:18])[C:16]2[C:11](=[CH:12][C:13]([Cl:19])=[CH:14][CH:15]=2)[N:10]=1)[C:21]([N:23]([CH3:25])[CH3:24])=[O:22])[C:38](=[O:46])[C:39]1[CH:40]=[CH:41][C:42]([CH3:45])=[CH:43][CH:44]=1

참가 물질

4

반응물 2

HCID 6422Trifluoroacetic acidHCID 58378188Tert-butyl 3-[[1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(dimethylamino)-2-oxoethyl](4-methylbenzoyl)amino]propylcarbamate

생성물 1

HCID 11272772Anticancer agent 95

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a solution of tert-butyl 3-[[1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(dimethylamino)-2-oxoethyl](4-methylbenzoyl)amino]propylcarbamate (500 mg), was added 20% solution of trifluoroacetic acid in methylene chloride at room temperature. The mixture was stirred at room temperature overnight. The solvent was removed under reduced pressure. The crude product was purified by flash chromatography to give N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(dimethylamino)-2-oxoethyl]-4-methylbenzanide (336 mg) as a white solid.

후처리

  1. customThe solvent was removed under reduced pressure
  2. customThe crude product was purified by flash chromatography
  3. customto give N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(dimethylamino)-2-oxoethyl]-4-methylbenzanide (336 mg) as a white solid

출처 및 근거

ORD 기록
ord-0421b31656174d1ba9643489b3f5a9d6
출처 데이터셋
uspto-grants-2011_05
특허 번호
US07939539B2

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