Morpholine → Ethyl 4-(2-fluoro-4-methylanilino)-7-(2-methoxyethoxy)-6-morpholin-4-ylquinoline-3-carboxylate

HRID 105

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HRID 105 반응식
C1COCCN1.CCOC(=O)c1cnc2cc(OCCOC)c(Br)cc2c1Nc1ccc(C)cc1F>C1COCCO1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>CCOC(=O)c1cnc2cc(OCCOC)c(N3CCOCC3)cc2c1Nc1ccc(C)cc1F

참가 물질

7

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온도
80 °C

실험 절차

Reaction reference EN00057-06, EN02095-49, 67, 68, 74, 78, 90 In a 50 mL round-bottomed flask was ethyl 6-bromo-4-(2-fluoro-4-methylphenylamino)-7-(2-methoxyethoxy)quinoline-3-carboxylate (4.6911 g, 9.83 mmol), Morpholine (0.857 mL, 9.83 mmol), TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) (0.720 g, 0.79 mmol), and rac-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl (1.958 g, 3.14 mmol) in Dioxane (100 mL) to give a orange suspension. The reaction mixture was heated and stirred at 80°C (start 4pm). After stirring/heating overngiht, reaction is about 30% complete. Add rac-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl (1.958 g, 3.14 mmol) and TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) (0.720 g, 0.79 mmol). Continue heating/stirring. After heating and stirring for another 24hr, reaction is about 85% complete with some starting material. Add rac-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl (1.958 g, 3.14 mmol) and TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) (0.720 g, 0.79 mmol). Continue heating and stirring. Reaction complete after going another 24 hr. Cool reaction, and concentrate in vacuo (CIV). Dissolve in DCM, and purify on ISCO; EtOAc/Hexanes, 0-100%, some product elutes at end of run. Continue eluting column with MeOH/DCM, 0-5%; more product elutes at 5%. Combine all fractions containing product; 3.5475g isolated of an amber solid. LC-MS and NMR indicate that it is a mixture of methyl and ethyl ester products.

출처 및 근거

ORD 기록
ord-b3b59923db4e4673a6bcde3d5a9c7727
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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