1-{3-[4-(2-aminopyrimidin-4-yl)-1-(4-methoxybenzyl)-1H-pyrazol-3-yl]phenyl}-3-[4-(trifluoromethyl)phenyl]urea → HCID 178508383, 화합물

HRID 45878노트

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HRID 45878 반응식
[NH2:1][C:2]1[N:7]=[C:6]([C:8]2[C:9]([C:22]3[CH:23]=[C:24]([NH:28][C:29]([NH:31][C:32]4[CH:37]=[CH:36][C:35]([C:38]([F:41])([F:40])[F:39])=[CH:34][CH:33]=4)=[O:30])[CH:25]=[CH:26][CH:27]=3)=[N:10][N:11](CC3C=CC(OC)=CC=3)[CH:12]=2)[CH:5]=[CH:4][N:3]=1>FC(F)(F)C(O)=O>[NH2:1][C:2]1[N:7]=[C:6]([C:8]2[C:9]([C:22]3[CH:23]=[C:24]([NH:28][C:29]([NH:31][C:32]4[CH:37]=[CH:36][C:35]([C:38]([F:39])([F:40])[F:41])=[CH:34][CH:33]=4)=[O:30])[CH:25]=[CH:26][CH:27]=3)=[N:10][NH:11][CH:12]=2)[CH:5]=[CH:4][N:3]=1

참가 물질

3

반응물 1

HCID 671848701-{3-[4-(2-aminopyrimidin-4-yl)-1-(4-methoxybenzyl)-1H-pyrazol-3-yl]phenyl}-3-[4-(trifluoromethyl)phenyl]urea

생성물 1

HCID 178508383HCID 178508383, 화합물수율 73.2%

시약·촉매·용매 1

HCID 6422Trifluoroacetic acid용매

반응 조건

온도
70 °C

실험 절차

800 mg (1.4 mmol) of 1-{3-[4-(2-aminopyrimidin-4-yl)-1-(4-methoxybenzyl)-1H-pyrazol-3-yl]phenyl}-3-[4-(trifluoromethyl)phenyl]urea were dissolved in 20 ml of trifluoroacetic acid and the mixture stirred at 70° C. for 4 hours. The solvent was then removed under reduced pressure and the residue taken up with dichloromethane and washed with aqueous sodium hydrogenocarbonate. The organic phase was dried over sodium sulphate and evaporated. The product was finally purified by flash-chromatography on a silica gel column (CH2Cl2-CH3OH; from 99/1 to 95/5), giving 450 mg (73%) of the title compound.

후처리

  1. customThe solvent was then removed under reduced pressure
  2. washwashed with aqueous sodium hydrogenocarbonate
  3. dry with materialThe organic phase was dried over sodium sulphate
  4. customevaporated
  5. customThe product was finally purified by flash-chromatography on a silica gel column (CH2Cl2-CH3OH; from 99/1 to 95/5)

출처 및 근거

ORD 기록
ord-582a2b2f59804e768c7847e92ede356c
출처 데이터셋
uspto-grants-2013_09
특허 번호
US08541575B2

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