2-Butenenitrile → HCID 57386677, 화합물

HRID 407068

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HRID 407068 반응식
[NH:1]1[CH:5]=[C:4]([C:6]2[CH:11]=[N:10][N:9]3[C:12]([C:15]4[CH:16]=[C:17]([NH:21][C:22]([NH:24][CH2:25][C:26]([F:29])([F:28])[F:27])=[O:23])[CH:18]=[CH:19][CH:20]=4)=[CH:13][N:14]=[C:8]3[CH:7]=2)[CH:3]=[N:2]1.[C:30](#[N:34])[CH:31]=[CH:32][CH3:33].N12CCCN=C1CCCCC2>C(#N)C.CO>[C:30]([CH2:31][CH:32]([N:1]1[CH:5]=[C:4]([C:6]2[CH:11]=[N:10][N:9]3[C:12]([C:15]4[CH:16]=[C:17]([NH:21][C:22]([NH:24][CH2:25][C:26]([F:28])([F:27])[F:29])=[O:23])[CH:18]=[CH:19][CH:20]=4)=[CH:13][N:14]=[C:8]3[CH:7]=2)[CH:3]=[N:2]1)[CH3:33])#[N:34]

참가 물질

6

반응물 3

HCID 209132-ButenenitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 67980550N-[3-(7-{-1H-pyrazol-4-yl}imidazo[1,2-b]pyridazin-3-yl)phenyl]-N'-(2,2,2-trifluoroethyl)urea

생성물 1

HCID 57386677HCID 57386677, 화합물

시약·촉매·용매 2

HCID 887Methanol용매HCID 6342Acetonitrile용매

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온도
60 °C

실험 절차

To a solution of N-{3-[7-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl}-N′-(2,2,2-trifluoroethyl)urea (15 mg, 0.037 mmol) and 2-butenenitrile (3.8 mg, 0.056 mmol) in acetonitrile (0.5 mL) and methanol (0.2 mL) was added 1,8-diazabicyclo[5.4.0]undec-7-ene (5.6 μL, 0.037 mmol). The mixture was stirred at 60° C. overnight. The reaction mixture was stirred at 60° C. overnight. The mixture was purified by RP-HPLC (pH=10) to afford the desired product. LCMS (M+H)+: m/z=469.1.

후처리

  1. stirringThe reaction mixture was stirred at 60° C. overnight
  2. customThe mixture was purified by RP-HPLC (pH=10)

출처 및 근거

ORD 기록
ord-6665bd91046d4d8494858e2ef5e05208
출처 데이터셋
uspto-grants-2014_06
특허 번호
US08754114B2

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