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Potassium Carbonate → [5-(2,2,2-Trifluoro-1,1-dimethyl-ethyl)-isoxazol-3-yl]-carbamic acid phenyl ester

HRID 631577
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HRID 631577 반응식
[F:1][C:2]([F:13])([F:12])[C:3]([C:6]1[O:10][N:9]=[C:8]([NH2:11])[CH:7]=1)([CH3:5])[CH3:4].C(=O)([O-])[O-].[K+].[K+].Cl[C:21]([O:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)=[O:22]>ClCCl>[F:13][C:2]([F:1])([F:12])[C:3]([C:6]1[O:10][N:9]=[C:8]([NH:11][C:21](=[O:22])[O:23][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[CH:7]=1)([CH3:5])[CH3:4]
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참가 물질

5

반응물 3

HCID 11430Potassium CarbonateHCID 15891Phenyl chloroformate2회HCID 56954313HCID 56954313, 화합물

생성물 1

HCID 66877298[5-(2,2,2-Trifluoro-1,1-dimethyl-ethyl)-isoxazol-3-yl]-carbamic acid phenyl ester수율 69%

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

실험 절차

To a stirred mixture of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-amine prepared as described in Example 259A (2.34 g, 12.06 mmol) and potassium carbonate (5 g, 36 mmol) in dry dichloromethane (50 mL) at 0° C., was added a solution of phenyl chloroformate (2.83 g, 18 mmol) in anhydrous dichloromethane (5 mL). The reaction mixture was warmed to room temperature and stirred for a further 15 h, then additional phenyl chloroformate (1 g, 6.3 mmol) was added and stirring was continued for a further 3 h. The reaction mixture was partitioned between water (200 mL) and dichloromethane (500 mL). The organic layer was separated, washed with brine (100 mL), dried over MgSO4, and then concentrated under reduced pressure to give a yellow oil. Purification via silica gel flash chromatography (eluting with 5% to 50% ethyl acetate in hexanes) afforded phenyl 5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-ylcarbamate (2.63 g, 69%) as a colorless solid. 1H NMR (300 MHz, CDCl3) δ 8.16 (brs, 1H), 7.38-7.43 (m, 2H), 7.17-7.29 (m, 3H), 6.85 (s, 1H), 1.57 (s, 6H); LC-MS (ESI) m/z 315 (M+H)+.

후처리

  1. customprepared
  2. stirringstirring
  3. waitwas continued for a further 3 h
  4. customThe reaction mixture was partitioned between water (200 mL) and dichloromethane (500 mL)
  5. customThe organic layer was separated
  6. washwashed with brine (100 mL)
  7. dry with materialdried over MgSO4
  8. concentrationconcentrated under reduced pressure
  9. customto give a yellow oil
  10. customPurification
  11. washvia silica gel flash chromatography (eluting with 5% to 50% ethyl acetate in hexanes)

출처 및 근거

ORD 기록
ord-b070bd2bd922489987475f159a603165
출처 데이터셋
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09320739B2

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