4-Methylmorpholine → Pyridazin-3-yl(7-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone

참여 물질

역할	이름	HCID	투입량
반응물	4-Methylmorpholine	HCID 7972	—
반응물	Pyridazine-3-carboxylic acid	HCID 269369	—
반응물	Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)	HCID 9886157	—
반응물	7-(4-(Trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride	HCID 70974708	—
용매	Dimethylformamide	HCID 6228	—
용매	Acetonitrile--water (1/1)	HCID 18373917	—
생성물	Pyridazin-3-yl(7-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone	HCID 70974688	—

반응 조건

온도	23 °C

반응 단계

To a suspension of 7-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride (50 mgs, 0.16 mmol), pyridazine-3-carboxylic acid (30 mgs, 0.24 mmol), HATU (91 mgs, 0.24 mmol), in DMF (1.0 mL) was added NMM (0.05 mL, 0.48 mmol) and the resulting solution was stirred at 23° C. for 16 h. The reaction mixture was then diluted with water/acetonitrile (10:1) and the solid formed was then washed with water, diethylether and dried to give the title compound. MS found for C21H16F3N3O as (M+H)+ 384.1 1H NMR (400 MHz, dmso-d6): mixture of rotomers (˜1.5:1): major rotomer: δ 8.93 (m, 2H), 7.96-7.91 (m, 3H); 7.91-7.55 (m, 6H); 7.32 (m, 1H); 4.90 (s, 2H); 3.44-3.41 (m, 2H); 2.86-2.848 (m, 2H).

출처 및 근거

DOI	10.6084/m9.figshare.5104873.v1
특허 번호	US09115096B2
출처 데이터셋	uspto-grants-2015_08
ORD ID	ord-c41bfd2b62f14aa3b63378f116ae6c06
출처 메모	uspto-grants-2015_08