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

HRID 105
ノート
印刷プレビュー

反応式

HRID 105 の反応式
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
参加物反応条件実験手順出典と根拠反応ノート

参加物

7

反応物 2

HCID 8083MorpholineHCID 178418199HCID 178418199、化合物

生成物 1

HCID 68437957Ethyl 4-(2-fluoro-4-methylanilino)-7-(2-methoxyethoxy)-6-morpholin-4-ylquinoline-3-carboxylate収率 74.65%

試薬・触媒・溶媒 4

HCID 10796Cesium carbonate試薬HCID 634876Binap, (A+-)-触媒
HCID 9811564
Bis(dibenzylideneacetone)palladium
触媒
HCID 312751,4-Dioxane溶媒

反応条件

温度
80 °C

実験手順

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.

出典と根拠

ORDレコード
ord-b3b59923db4e4673a6bcde3d5a9c7727
出典データセット
750 AstraZeneca ELN dataset
元リンク
出典を表示

反応ノート

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