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N~1~-[3-(dimethylamino)propyl]-N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine → N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-N'-(3-methyl-4-((3-(4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)urea

HRID 446321
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HRID 446321 반응식
[N:1]([C:4]1[CH:22]=[CH:21][C:7]([O:8][C:9]2[C:14]([C:15]3[CH:20]=[CH:19][N:18]=[CH:17][N:16]=3)=[CH:13][CH:12]=[CH:11][N:10]=2)=[C:6]([CH3:23])[CH:5]=1)=[C:2]=[O:3].[CH3:24][N:25]([CH3:42])[CH2:26][CH2:27][CH2:28][N:29]([CH3:41])[C:30]1[C:31]([NH2:40])=[CH:32][C:33]([C:36]([F:39])([F:38])[F:37])=[CH:34][CH:35]=1>C1(C)C=CC=CC=1>[CH3:42][N:25]([CH3:24])[CH2:26][CH2:27][CH2:28][N:29]([CH3:41])[C:30]1[CH:35]=[CH:34][C:33]([C:36]([F:39])([F:37])[F:38])=[CH:32][C:31]=1[NH:40][C:2]([NH:1][C:4]1[CH:22]=[CH:21][C:7]([O:8][C:9]2[C:14]([C:15]3[CH:20]=[CH:19][N:18]=[CH:17][N:16]=3)=[CH:13][CH:12]=[CH:11][N:10]=2)=[C:6]([CH3:23])[CH:5]=1)=[O:3]
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참가 물질

4

반응물 2

HCID 16109009N~1~-[3-(dimethylamino)propyl]-N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamineHCID 866025954-(2-(4-Isocyanato-2-methylphenoxy)pyridin-3-yl)pyrimidine

생성물 1

HCID 58396469N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-N'-(3-methyl-4-((3-(4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)urea

시약·촉매·용매 1

HCID 1140Toluene용매

실험 절차

To 4-(2-(4-isocyanato-2-methylphenoxy)pyridin-3-yl)pyrimidine (93 mg, 0.33 mmol) in toluene (3 mL) was added N1-(3-(dimethylamino)propyl)-N1-methyl-4-(trifluoromethyl)benzene-1,2-diamine (82 mg, 0.30 mmol). The mixture was stirred for 2.5 days at RT, then concentrated and purified by semi-preparative HPLC (Gilson, acidic mobile phase) to yield the title compound as an off-white solid. MS m/z=580 [M+H]+. Calc'd for C30H32F3N7O2: 579.63.

후처리

  1. concentrationconcentrated
  2. custompurified by semi-preparative HPLC (Gilson, acidic mobile phase)

출처 및 근거

ORD 기록
ord-8642969e79f54120aaaffd281098bf9e
출처 데이터셋
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08476434B2

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