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1-Butanol → racemic N2-(1-(1H-indol-5-yl)ethyl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

HRID 475245
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인쇄 미리보기

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HRID 475245 반응식
Cl[C:2]1[N:7]=[C:6]([NH:8][C:9]2[NH:13][N:12]=[C:11]([CH:14]3[CH2:16][CH2:15]3)[CH:10]=2)[CH:5]=[CH:4][N:3]=1.C(O)(=O)CCCCC(O)=O.[NH:27]1[C:35]2[C:30](=[CH:31][C:32]([CH:36]([NH2:38])[CH3:37])=[CH:33][CH:34]=2)[CH:29]=[CH:28]1.CCN(C(C)C)C(C)C.CCCCO>CCOC(C)=O>[NH:27]1[C:35]2[C:30](=[CH:31][C:32]([CH:36]([NH:38][C:2]3[N:7]=[C:6]([NH:8][C:9]4[CH:10]=[C:11]([CH:14]5[CH2:16][CH2:15]5)[NH:12][N:13]=4)[CH:5]=[CH:4][N:3]=3)[CH3:37])=[CH:33][CH:34]=2)[CH:29]=[CH:28]1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 529934411-(1h-Indol-5-yl)ethylamine adipateHCID 178478345HCID 178478345, 화합물

생성물 1

HCID 78059718racemic N2-(1-(1H-indol-5-yl)ethyl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine수율 24.7%

시약·촉매·용매 1

HCID 8857
Ethyl Acetate
용매

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온도
120 °C

실험 절차

A vessel was charged with 53 (665 mg, 2.82 mmol), 1-(1H-indol-5-yl)ethanamine adipic acid salt (1.45 g mg, 6.20 mmol, CASRN 1282097-87-3), DIPEA (7.4 mL) and n-BuOH (57 mL), sealed and heated at 120° C. for 12 d. The reaction mixture was cooled and diluted with EtOAc. The organic layer was washed sequentially with water and brine, dried (Na2SO4), filtered and concentrated in vacuo. The crude was purified by reverse-phase HPLC purification to afford 250.0 mg (24.7%) of racemic N2-(1-(1H-indol-5-yl)ethyl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (180) as a white solid.

후처리

  1. customsealed
  2. temperatureThe reaction mixture was cooled
  3. washThe organic layer was washed sequentially with water and brine
  4. dry with materialdried (Na2SO4)
  5. filtrationfiltered
  6. concentrationconcentrated in vacuo
  7. customThe crude was purified by reverse-phase HPLC purification

출처 및 근거

ORD 기록
ord-2f2701dac57e41a2b20a2c072227f41c
출처 데이터셋
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08637537B2

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