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1,8-Diazabicyclo(5.4.0)undec-7-ene → 2-(2-(4-(7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl)-1H-pyrazol-1-yl)spiro[3.3]heptan-2-yl)acetonitrile

HRID 1853088
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HRID 1853088 반응식
[CH3:1][N:2]1[CH:6]=[C:5]([C:7]2[N:12]=[C:11]([C:13]3[CH:14]=[N:15][NH:16][CH:17]=3)[N:10]3[CH:18]=[CH:19][N:20]=[C:9]3[CH:8]=2)[CH:4]=[N:3]1.[CH2:21]1[C:24]2([CH2:27][CH2:26][CH2:25]2)[CH2:23][C:22]1=[CH:28][C:29]#[N:30].N1CCCN2CCCCCC=12>CC#N>[CH3:1][N:2]1[CH:6]=[C:5]([C:7]2[N:12]=[C:11]([C:13]3[CH:14]=[N:15][N:16]([C:22]4([CH2:28][C:29]#[N:30])[CH2:23][C:24]5([CH2:27][CH2:26][CH2:25]5)[CH2:21]4)[CH:17]=3)[N:10]3[CH:18]=[CH:19][N:20]=[C:9]3[CH:8]=2)[CH:4]=[N:3]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 674519072-(Spiro[3.3]heptan-2-ylidene)acetonitrileHCID 674525377-(1-methyl-1H-pyrazol-4-yl)-5-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine

생성물 1

HCID 674569282-(2-(4-(7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl)-1H-pyrazol-1-yl)spiro[3.3]heptan-2-yl)acetonitrile수율 42.3%

시약·촉매·용매 1

HCID 6342
Acetonitrile
용매

실험 절차

7-(1-Methyl-1H-pyrazol-4-yl)-5-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine (Preparation K-1; 0.050 g, 0.189 mmol), 2-(spiro[3.3]heptan-2-ylidene)acetonitrile (0.050 g, 0.377 mmol) and 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (0.014 mL, 0.094 mmol) were suspended in MeCN (3 mL) and stirred at ambient temperature overnight. The reaction mixture was concentrated under reduced pressure and the crude material purified by flash column chromatography, eluting with 1-4% (9:1 MeOH:NH4OH)/DCM to provide 2-(2-(4-(7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl)-1H-pyrazol-1-yl)spiro[3.3]heptan-2-yl)acetonitrile (0.032 g, 0.080 mmol, 42% yield). MS (apci) m/z=399.2 (M+H).

후처리

  1. concentrationThe reaction mixture was concentrated under reduced pressure
  2. customthe crude material purified by flash column chromatography
  3. washeluting with 1-4% (9:1 MeOH:NH4OH)/DCM

출처 및 근거

ORD 기록
ord-97f99354dbb24a3681378ee65e89d8e6
출처 데이터셋
uspto-grants-2015_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08962596B2

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