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Water → Tert-butyl 4-(3,5,6-trifluoropyridin-2-yl)piperazine-1-carboxylate

HRID 730747
ノート
印刷プレビュー

反応式

HRID 730747 の反応式
F[C:2]1[C:7]([F:8])=[CH:6][C:5]([F:9])=[C:4]([F:10])[N:3]=1.[C:11]([N:18]1[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]1)([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12].C(N(CC)C(C)C)(C)C.O>CN1C(=O)CCC1>[C:14]([O:13][C:11]([N:18]1[CH2:23][CH2:22][N:21]([C:2]2[C:7]([F:8])=[CH:6][C:5]([F:9])=[C:4]([F:10])[N:3]=2)[CH2:20][CH2:19]1)=[O:12])([CH3:17])([CH3:15])[CH3:16]
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

6

反応物 4

HCID 962WaterHCID 81531DiisopropylethylamineHCID 1377492,3,5,6-TetrafluoropyridineHCID 143452tert-Butyl piperazine-1-carboxylate

生成物 1

HCID 67398573Tert-butyl 4-(3,5,6-trifluoropyridin-2-yl)piperazine-1-carboxylate

試薬・触媒・溶媒 1

HCID 13387N-methyl-2-pyrrolidone
溶媒

反応条件

温度
150 °C

実験手順

A mixture of 2,3,5,6-tetrafluoropyridine (755 mg, 5 mmol, Aldrich), 1-Boc-piperazine (558 mg, 3 mmol, Aldrich) and N,N-diisopropylethylamine (1 mL, 5.8 mmol, Aldrich) in NMP (5 mL) was heated at 150° C. for 16 h. The reaction mixture was cooled to room temperature, water (25 mL) was added, and the mixture was extracted with EtOAc (2×40 mL). The combined organic phases were washed with brine (50 mL), then dried over Na2SO4 and filtered. The filtrate was concentrated in vacuo and the residue was purified by silica gel column chromatography, eluting with 20% EtOAc/hexane to give the title compound as a white solid. MS (ESI, pos. ion) m/z: 318 (M+1).

後処理

  1. temperatureThe reaction mixture was cooled to room temperature
  2. extractionthe mixture was extracted with EtOAc (2×40 mL)
  3. washThe combined organic phases were washed with brine (50 mL)
  4. dry with materialdried over Na2SO4
  5. filtrationfiltered
  6. concentrationThe filtrate was concentrated in vacuo
  7. customthe residue was purified by silica gel column chromatography
  8. washeluting with 20% EtOAc/hexane

出典と根拠

ORDレコード
ord-e1c5ce74141c4cd1ac37d5ade23b85ee
出典データセット
uspto-grants-2009_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07582761B2

反応ノート

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