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Diisopropylethylamine → 2-Chloro-5-((5-fluoro-4-methylpyridin-3-yl)ethynyl)isonicotinaldehyde

HRID 468952
ノート
印刷プレビュー

反応式

HRID 468952 の反応式
[C:1]([C:3]1[CH:4]=[N:5][CH:6]=[C:7]([F:10])[C:8]=1[CH3:9])#[CH:2].Br[C:12]1[C:13]([CH:19]=[O:20])=[CH:14][C:15]([Cl:18])=[N:16][CH:17]=1.C(N(CC)C(C)C)(C)C>O1CCOCC1.C(OCC)(=O)C.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[Cl:18][C:15]1[CH:14]=[C:13]([C:12]([C:2]#[C:1][C:3]2[CH:4]=[N:5][CH:6]=[C:7]([F:10])[C:8]=2[CH3:9])=[CH:17][N:16]=1)[CH:19]=[O:20]
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

7

反応物 3

HCID 81531DiisopropylethylamineHCID 534183815-Bromo-2-chloropyridine-4-carbaldehydeHCID 866749813-Ethynyl-5-fluoro-4-methylpyridine

生成物 1

HCID 866749822-Chloro-5-((5-fluoro-4-methylpyridin-3-yl)ethynyl)isonicotinaldehyde収率 78%

試薬・触媒・溶媒 3

HCID 178418476HCID 178418476、化合物触媒
HCID 8857
Ethyl Acetate
溶媒
HCID 312751,4-Dioxane溶媒

反応条件

温度
60 °C

実験手順

A mixture of 3-ethynyl-5-fluoro-4-methyl-pyridine (240 mg, 1.78 mmol), 5-bromo-2-chloro-pyridine-4-carbaldehyde (392 mg, 1.78 mmol), N,N-diisopropylethylamine (0.62 mL, 3.55 mmol), dichlorobis(triphenylphosphine)palladium(II) (64 mg, 0.089 mmol), and cuprous iodide (17 mg, 0.089 mmol) in dioxane (5 mL) was heated at 60° C. for 1 hour. The reaction mixture was diluted with ethyl acetate (50 mL) and washed with water (50 mL). The organic layer was separated, dried over sodium sulfate, filtered and concentrated in vacuo to provide a residue that was purified by flash chromatography (12 g, Silica, 0-70% ethyl acetate in heptane). Desired fractions were combined and evaporated in vacuo to afford the title compound as a pale yellow solid (380 mg, 78%), which was used in the next step without further purification.

後処理

  1. washwashed with water (50 mL)
  2. customThe organic layer was separated
  3. dry with materialdried over sodium sulfate
  4. filtrationfiltered
  5. concentrationconcentrated in vacuo
  6. customto provide a residue that
  7. customwas purified by flash chromatography (12 g, Silica, 0-70% ethyl acetate in heptane)
  8. customevaporated in vacuo

出典と根拠

ORDレコード
ord-18dc961d6851477c8b8f7f38d7a9d39a
出典データセット
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08623889B2

反応ノート

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