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1-Methylpiperidine-4-methylamine → N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

HRID 104
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HRID 104 반응식
CN1CCC(CN)CC1.Cl.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1>CC(C)(C)[O-].CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Na+].[Pd].[Pd]>CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
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참가 물질

7

반응물 2

HCID 815741-Methylpiperidine-4-methylamineHCID 178418206HCID 178418206, 화합물

생성물 1

HCID 24795070N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine수율 55.56%

시약·촉매·용매 4

HCID 23676156Sodium t-butoxide시약HCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl
촉매
HCID 9811564Bis(dibenzylideneacetone)palladium촉매
HCID 1140Toluene용매

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온도
110 °C

실험 절차

A 100 mL round bottom flask was charged with a magnetic stir bar, toluene (17.45 mL), 6-chloro-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazine hydrochloride (550 mg, 1.57 mmol) (EN02141-06), Pd2dba3 (144 mg, 0.16 mmol), 2'-(dicyclohexylphosphino)-N,N-dimethylbiphenyl-2-amine (185 mg, 0.47 mmol),sodium tert-butoxide (604 mg, 6.28 mmol), and (1-methylpiperidin-4-yl)methanamine (302 mg, 2.36 mmol). The mixture was degassed with argon, the vessel fitted with a reflux condenser, and then placed in an oil bath heated to 110 °C with stirring for 16 h. The mixture was cooled to rt, pre-absorbed onto silca gel (~ 10 g) and purified on silica gel (80 g) using MeOH/DCM (1:3) as eluent to afford the title compound, .N-((1-methylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine (391 mg, 55.6 %) as an off white solid. 110 mg of this pure free base was dissolved in anhydrous MeOH and 32 uL of conc. H2SO4 were added. The mixture was stirred for 10 min. ar rt before being conc. in vacuo. The crude solids were triturated with diethyl ether and collected via vacuum filtration to afford the title compound as its bis(bisulfate).

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ORD 기록
ord-08d5030b9aa741ee93b18633e22acea8
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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