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Diethyl Ether → HCID 72265020, 화합물

HRID 645961
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HRID 645961 반응식
[F:1][C:2]([F:21])([F:20])[C:3]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[N:5]([C:12]2[CH:19]=[CH:18][C:15]([CH:16]=O)=[CH:14][CH:13]=2)[N:4]=1.[F:22][C:23]1[C:28]([F:29])=[CH:27][CH:26]=[CH:25][C:24]=1[C:30](=[O:34])[CH2:31][C:32]#[N:33].C(O)(=O)C.N1CCCCC1.CCOCC>C1C=CC=CC=1>[F:21][C:2]([F:1])([F:20])[C:3]1[CH:7]=[C:6]([C:8]([F:9])([F:11])[F:10])[N:5]([C:12]2[CH:19]=[CH:18][C:15]([CH:16]=[C:31]([C:30](=[O:34])[C:24]3[CH:25]=[CH:26][CH:27]=[C:28]([F:29])[C:23]=3[F:22])[C:32]#[N:33])=[CH:14][CH:13]=2)[N:4]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 3283Diethyl EtherHCID 9793820Piperidine, acetateHCID 184490243-(2,3-Difluorophenyl)-3-oxopropanenitrileHCID 18449038HCID 18449038, 화합물

생성물 1

HCID 72265020HCID 72265020, 화합물수율 69.4%

시약·촉매·용매 1

HCID 241Benzene
용매

실험 절차

A stirred solution of 4-(3,5-bis-trifluoromethyl-pyrazol-1-yl)-benzaldehyde (0.18 g, 0.58 mmol), 3-(2,3-difluoro-phenyl)-3-oxo-propionitrile (0.1 g, 0.55 mmol) and piperidine acetate (8 mg, 0.06 mmol) in dry benzene was heated at reflux for 12 hours. Volatile components were removed under reduced pressure to give a syrup. Trituration with ether gave 3-[4-(3,5-bis-trifluoromethyl-pyrazol-1-yl)-phenyl]-2-(2,3-difluoro-benzoyl)-acrylonitrile (0.18 g, 65% yield) as a solid: 1H-NMR (CDCl3) 6δ 7.15 (s, 1H), 7.24-7.32 (m, 1H), 7.38-7.50 (m, 2H), 7.72 (d, 2H, J=8.4), 8.11 (s, 1H), 8.20 (d, 2H, J=8.4) ppm. ESMS calculated for C21 H9F8N3O: 471.1; Found: 472.0 (M+H)+.

후처리

  1. temperatureat reflux for 12 hours
  2. customVolatile components were removed under reduced pressure
  3. customto give a syrup

출처 및 근거

ORD 기록
ord-035ba71c66c946359c04e21e0f96f33a
출처 데이터셋
uspto-grants-2010_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07705029B2

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