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Pyrrolidine → 5-Fluoro-2-(3-pyrrolidin-1-ylmethyl-benzo[d]isoxazol-6-yloxy)-benzonitrile

HRID 1897459
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HRID 1897459 반응식
Br[CH2:2][C:3]1[C:7]2[CH:8]=[CH:9][C:10]([O:12][C:13]3[CH:20]=[CH:19][C:18]([F:21])=[CH:17][C:14]=3[C:15]#[N:16])=[CH:11][C:6]=2[O:5][N:4]=1.[NH:22]1[CH2:26][CH2:25][CH2:24][CH2:23]1>ClCCl>[F:21][C:18]1[CH:19]=[CH:20][C:13]([O:12][C:10]2[CH:9]=[CH:8][C:7]3[C:3]([CH2:2][N:22]4[CH2:26][CH2:25][CH2:24][CH2:23]4)=[N:4][O:5][C:6]=3[CH:11]=2)=[C:14]([CH:17]=1)[C:15]#[N:16]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 31268PyrrolidineHCID 674092672-(3-Bromomethylbenzo[d]isoxazol-6-yloxy)-5-fluorobenzonitrile

생성물 1

HCID 674101705-Fluoro-2-(3-pyrrolidin-1-ylmethyl-benzo[d]isoxazol-6-yloxy)-benzonitrile수율 94%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

2-(3-Bromomethylbenzo[d]isoxazol-6-yloxy)-5-fluorobenzonitrile (4v) (0.295 g, 0.850 mmol) was dissolved in dichloromethane and pyrrolidine was added dropwise (0.18 g, 2.5 mmol). After 2 hours, the reaction was concentrated and partitioned between NaHCO3 (15 mL) and EtOAc (30 mL). The aqueous layer was back extracted with EtOAc and the organic fractions were combined, washed with brine and dried (MgSO4) to provide compound (5v) (0.27 g, 94%) which was used without further purification. 1H NMR (400 MHz, CDCl3) δ 7.90 (d, J=8.6 Hz, 1H), 7.42 (d, J=6.3 Hz, 1H), 7.30-7.26 (m, 1H), 7.11 (s, 1H), 7.07-7.02 (m, 2H), 4.02 (s, 2H), 2.62 (s, 4H), 1.82 (s, 4H); MS (ESI+) m/z 338 (M+H) detected.

후처리

  1. concentrationthe reaction was concentrated
  2. custompartitioned between NaHCO3 (15 mL) and EtOAc (30 mL)
  3. extractionThe aqueous layer was back extracted with EtOAc
  4. washwashed with brine
  5. dry with materialdried (MgSO4)

출처 및 근거

ORD 기록
ord-cb3330c575fb4d0a959d95f669f791c9
출처 데이터셋
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08518983B2

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