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Potassium Carbonate → 1-(6-chloropyridazin-3-yl)-5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

HRID 1713160
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인쇄 미리보기

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HRID 1713160 반응식
Cl.[Cl:2][C:3]1[N:8]=[N:7][C:6]([N:9]2[C:17]3[CH2:16][CH2:15][NH:14][CH2:13][C:12]=3[CH:11]=[N:10]2)=[CH:5][CH:4]=1.Cl[CH2:19][C:20]([N:22]1[CH2:27][CH2:26][N:25]([CH:28]2[CH2:31][CH2:30][CH2:29]2)[CH2:24][CH2:23]1)=[O:21].C([O-])([O-])=O.[K+].[K+]>CC#N>[Cl:2][C:3]1[N:8]=[N:7][C:6]([N:9]2[C:17]3[CH2:16][CH2:15][N:14]([CH2:19][C:20]([N:22]4[CH2:27][CH2:26][N:25]([CH:28]5[CH2:31][CH2:30][CH2:29]5)[CH2:24][CH2:23]4)=[O:21])[CH2:13][C:12]=3[CH:11]=[N:10]2)=[CH:5][CH:4]=1
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참가 물질

5

반응물 3

HCID 11430Potassium CarbonateHCID 574205621-(Chloroacetyl)-4-cyclobutylpiperazineHCID 866154151-(6-chloropyridazin-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride

생성물 1

HCID 574205871-(6-chloropyridazin-3-yl)-5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

시약·촉매·용매 1

HCID 6342
Acetonitrile
용매

실험 절차

A mixture of 1-(6-chloropyridazin-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride (1.05 g, 3.86 mmol), 1-(chloroacetyl)-4-cyclobutylpiperazine (840 mg, 3.86 mmol), K2CO3 (2.11 g, 15.4 mmol) and KI (66 mg, 0.4 mmol) in CH3CN (20 mL) is stirred at rt overnight. The solvent is removed in vacuo and the residue is partitioned between water (20 mL) and EtOAc (20 mL). The layers are separated and the aqueous layer is extracted with EtOAc (3×20 mL). The combined extracts are washed with brine (30 μL), dried and evaporated. The resultant oil is purified by flash column with DCM/MeOH/NH4OH (100:5:0.5) to give the title compound as a light yellow solid. 1H NMR (6, CDCl3): 8.16 (d, 1H), 7.57 (d, 1H), 7.51 (s, 1H), 3.58-3.62 (m, 6H), 3.40 (s, 2H), 3.35 (t, 2H), 2.86 (t, 2H), 2.62-2.72 (m, 1H), 2.27 (q, 4H), 1.62-2.02 (m, 6H). MS (M+1): 416.2.

후처리

  1. customThe solvent is removed in vacuo
  2. customthe residue is partitioned between water (20 mL) and EtOAc (20 mL)
  3. customThe layers are separated
  4. extractionthe aqueous layer is extracted with EtOAc (3×20 mL)
  5. washThe combined extracts are washed with brine (30 μL)
  6. customdried
  7. customevaporated
  8. customThe resultant oil is purified by flash column with DCM/MeOH/NH4OH (100:5:0.5)

출처 및 근거

ORD 기록
ord-fe56d12ec4344d7e85e3dc0fa343acf6
출처 데이터셋
uspto-grants-2010_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07795262B2

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