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Ethyl 4-chloro-6-fluoroquinazoline-2-carboxylate → (4-Chloro-6-fluoroquinazolin-2-yl)(4-fluorophenyl)methanone

HRID 625799
ノート
印刷プレビュー

反応式

HRID 625799 の反応式
[Cl:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([F:12])[CH:10]=2)[N:5]=[C:4]([C:13]([O:15]CC)=O)[N:3]=1.[F:18][C:19]1[CH:24]=[CH:23][C:22]([Mg]Br)=[CH:21][CH:20]=1.C1COCC1>C1COCC1>[Cl:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([F:12])[CH:10]=2)[N:5]=[C:4]([C:13]([C:22]2[CH:23]=[CH:24][C:19]([F:18])=[CH:20][CH:21]=2)=[O:15])[N:3]=1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

4

反応物 2

HCID 86649062Ethyl 4-chloro-6-fluoroquinazoline-2-carboxylateHCID 178420690HCID 178420690、化合物

生成物 1

HCID 86649063(4-Chloro-6-fluoroquinazolin-2-yl)(4-fluorophenyl)methanone収率 69.3%

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

反応条件

温度
-40 °C

実験手順

To a stirred solution of ethyl 4-chloro-6-fluoroquinazoline-2-carboxylate (1.06 g, 4.5 mmol) in THF (15 mL) at −40° C., was added dropwise 1 M 4-fluorophenylmagnesium bromide/THF (5.85 mL, 5.85 mmol). The mixture was stirred at −40° C. for 2 h. The reaction was quenched by adding 0.5 N HCl at 0° C. and then the mixture was extracted with EtOAc (2×20 mL). The solid that precipitated from the combined organic layers was removed by filtration and the filtrate was washed with brine. The organic phase was dried over MgSO4, filtered, and concentrated under reduced pressure. The residue was purified by silica gel chromatography to afford (4-chloro-6-fluoroquinazolin-2-yl)(4-fluorophenyl)methanone as a solid (950 mg, 69%). 1H NMR (300 MHz, DMSO-d6) δ 8.32-8.36 (m, 1H), 8.13-8.21 (m, 4H), 7.43 (t, J=8.2 Hz, 2H); LC-MS (ESI) m/z 305 (M+H)+.

後処理

  1. customThe reaction was quenched
  2. additionby adding 0.5 N HCl at 0° C.
  3. extractionthe mixture was extracted with EtOAc (2×20 mL)
  4. customThe solid that precipitated from the combined organic layers
  5. customwas removed by filtration
  6. washthe filtrate was washed with brine
  7. dry with materialThe organic phase was dried over MgSO4
  8. filtrationfiltered
  9. concentrationconcentrated under reduced pressure
  10. customThe residue was purified by silica gel chromatography

出典と根拠

ORDレコード
ord-c1ecfe3b3a2c4169a08d7e23fe9b3dc2
出典データセット
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09308207B2

反応ノート

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このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート