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Sodium hydride → HCID 86706874、化合物

HRID 717895
ノート
印刷プレビュー

反応式

HRID 717895 の反応式
[H-].[Na+].[OH:3][CH:4]1[CH2:9][CH2:8][N:7]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:6][CH2:5]1.Cl[C:18]1[CH:23]=[C:22]([C:24]2([OH:28])[CH2:27][O:26][CH2:25]2)[CH:21]=[C:20]([C:29]([F:32])([F:31])[F:30])[N:19]=1.[Cl-].[NH4+]>O1CCCC1.O>[OH:28][C:24]1([C:22]2[CH:21]=[C:20]([C:29]([F:32])([F:31])[F:30])[N:19]=[C:18]([O:3][CH:4]3[CH2:5][CH2:6][N:7]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:8][CH2:9]3)[CH:23]=2)[CH2:25][O:26][CH2:27]1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 24758Sodium hydrideHCID 25517Ammonium ChlorideHCID 643502Tert-butyl 4-hydroxypiperidine-1-carboxylateHCID 86706873HCID 86706873、化合物

生成物 1

HCID 86706874HCID 86706874、化合物収率 33.9%

試薬・触媒・溶媒 2

HCID 962Water溶媒
HCID 8028
Tetrahydrofuran
溶媒
2 回

実験手順

To sodium hydride (60% in mineral oil, 0.20 g, 4.9 mmol) in a dry flask was added tetrahydrofuran (20 mL), followed by tert-butyl 4-hydroxypiperidine-1-carboxylate (0.98 g, 4.9 mmol, Aldrich). After stirring for 1 hour at room temperature, a solution of 3-[2-chloro-6-(trifluoromethyl)pyridin-4-yl]oxetan-3-ol (0.31 g, 1.2 mmol, from Step 1) in tetrahydrofuran (11 mL) was introduced. The reaction was stirred at ambient temperature for 2 hours, followed by heating to 65° C. overnight. The reaction was cooled to room temperature and water was added, followed by saturated ammonium chloride to adjust the pH to between 7 and 8. The product was extracted with two portions of DCM. The combined organic extracts were dried over sodium sulfate, decanted and concentrated. The product was purified by flash chromatography, eluting with a gradient from 0-20% EtOAc in hexanes, on a 40 g silica gel column to afford 0.17 g of desired product (yield 30%). 1H NMR (400 MHz, CDCl3) δ 7.58 (d, J=1.3 Hz, 1H), 7.22-7.15 (m, 1H), 5.28 (tt, J=7.6, 3.7 Hz, 1H), 4.91 (d, J=7.6 Hz, 2H), 4.77 (d, J=6.9 Hz, 2H), 3.72 (ddd, J=12.5, 6.6, 3.9 Hz, 2H), 3.32 (ddd, J=13.8, 8.0, 3.7 Hz, 2H), 1.98 (ddt, J=13.6, 7.1, 3.6 Hz, 2H), 1.73 (ddt, J=16.5, 8.1, 3.9 Hz, 2H), 1.46 (s, 9H). 19F NMR (376 MHz, CDCl3) δ −68.78 (s). LCMS (M+Na)+: 441.1.

後処理

  1. stirringThe reaction was stirred at ambient temperature for 2 hours
  2. temperatureby heating to 65° C. overnight
  3. temperatureThe reaction was cooled to room temperature
  4. extractionThe product was extracted with two portions of DCM
  5. dry with materialThe combined organic extracts were dried over sodium sulfate
  6. customdecanted
  7. concentrationconcentrated
  8. customThe product was purified by flash chromatography
  9. washeluting with a gradient from 0-20% EtOAc in hexanes, on a 40 g silica gel column

出典と根拠

ORDレコード
ord-20325e40f29e460492b89aff85e9c935
出典データセット
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09193733B2

反応ノート

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