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Sodium hydride → 4-(Adamantan-1-ylmethoxy)-3-bromobenzonitrile

HRID 1427817
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HRID 1427817 반응식
[C:1]12([CH2:11][OH:12])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.[H-].[Na+].F[C:16]1[CH:23]=[CH:22][C:19]([C:20]#[N:21])=[CH:18][C:17]=1[Br:24]>O1CCCC1>[C:1]12([CH2:11][O:12][C:16]3[CH:23]=[CH:22][C:19]([C:20]#[N:21])=[CH:18][C:17]=3[Br:24])[CH2:8][CH:7]3[CH2:6][CH:5]([CH2:4][CH:3]([CH2:9]3)[CH2:2]1)[CH2:10]2
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참가 물질

5

반응물 3

HCID 24758Sodium hydrideHCID 64556Tricyclo(3.3.1.1'3,7)dec-1-ylmethanolHCID 1235793-Bromo-4-fluorobenzonitrile

생성물 1

HCID 867028434-(Adamantan-1-ylmethoxy)-3-bromobenzonitrile수율 80.9%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

To a mixture of adamantan-1-ylmethanol (12.47 g, 75.00 mmol) in anhydrous tetrahydrofuran (100 mL) was added sodium hydride (60% w/w in mineral oil, 3.30 g, 82.50 mmol) at 0° C. The resulting mixture was stirred at ambient temperature for 2 h, followed by the addition of 4-fluoro-3-bromobenzonitrile (15.00 g, 75.00 mmol). Stirring was continued at ambient temperature for 17 h, cooled to 0° C. and quenched with saturated ammonium chloride solution (20 mL). The volatiles were removed by evaporation in vacuo. The residue was washed with water and diethyl ether to give the title compound as a pale yellow solid (21.00 g, 80%): 1H NMR (300 MHz, CDCl3) δ 7.80-7.78 (m, 1H), 7.56-7.51 (m, 1H), 6.88-6.84 (m, 1H), 3.57 (s, 3H), 2.02 (br s, 3H), 1.73-1.55 (m, 12H).

후처리

  1. stirringStirring
  2. waitwas continued at ambient temperature for 17 h
  3. temperaturecooled to 0° C.
  4. customquenched with saturated ammonium chloride solution (20 mL)
  5. customThe volatiles were removed by evaporation in vacuo
  6. washThe residue was washed with water and diethyl ether

출처 및 근거

ORD 기록
ord-3d665f90c55d4d64a07317abe96c9710
출처 데이터셋
uspto-grants-2015_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08933236B2

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