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Bromine → 4-(Bromo-cyano-methylidene)-piperidine-1-carboxylic acid tert-butyl ester

HRID 15502
ノート
印刷プレビュー

反応式

HRID 15502 の反応式
[H-].[Na+].[C:3]([CH2:5]P(=O)(OCC)OCC)#[N:4].[Br:14]Br.[C:16]([O:20][C:21]([N:23]1[CH2:28][CH2:27][C:26](=O)[CH2:25][CH2:24]1)=[O:22])([CH3:19])([CH3:18])[CH3:17]>C1COCC1>[C:16]([O:20][C:21]([N:23]1[CH2:28][CH2:27][C:26](=[C:5]([Br:14])[C:3]#[N:4])[CH2:25][CH2:24]1)=[O:22])([CH3:19])([CH3:18])[CH3:17]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 24408BromineHCID 24758Sodium hydride2 回HCID 75676Diethyl (cyanomethyl)phosphonateHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylate

生成物 1

HCID 593424254-(Bromo-cyano-methylidene)-piperidine-1-carboxylic acid tert-butyl ester収率 74%

試薬・触媒・溶媒 1

HCID 8028
Tetrahydrofuran
溶媒
2 回

実験手順

A slurry of sodium hydride (0.76 g, 19.0 mmol) in THF (75 mL) at 0° C. under nitrogen was carefully treated with diethyl cyanomethylphosphonate (3.4 g, 19.0 mmol) via a syringe. After gas evolution ceased, the reaction mixture was treated with bromine (3.04 g, 19.0 mmol) via a dropping funnel over 10 min., and the resulting mixture was allowed to stir for 2 h. The reaction mixture was treated with sodium hydride (0.76 g, 19.0 mmol) and the resulting slurry was allowed to stir for 30 min. at 0° C. A solution of 1-(tert-butoxycarbonyl)-4-piperidinone (2.52 g, 12.7 mmol) in THF (10 mL) was added dropwise over 10 min. and the resulting solution was allowed to stir at room temperature overnight. The reaction was quenched by the addition of water (50 mL) and the resulting mixture was diluted with ethyl acetate (100 mL), washed with sat. NH4Cl (100 mL), brine (100 mL), and concentrated in vacuo. Purification by chromatography (EtOAc/hexanes=1:4) yielded the title compound (2.8 g, 74%) as a white solid. MS 301 (M+H).

後処理

  1. stirringto stir for 30 min. at 0° C
  2. stirringto stir at room temperature overnight
  3. customThe reaction was quenched by the addition of water (50 mL)
  4. additionthe resulting mixture was diluted with ethyl acetate (100 mL)
  5. washwashed with sat. NH4Cl (100 mL), brine (100 mL)
  6. concentrationconcentrated in vacuo
  7. customPurification by chromatography (EtOAc/hexanes=1:4)

出典と根拠

ORDレコード
ord-a1bcd9af93f44d31a482984567698e35
出典データセット
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07732612B2

反応ノート

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