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Ethyl Acetate → 5-Fluoro-2-(4-ethyl-benzyl)-7-trifluoromethyl-2,3-dihydro-isoindol-1-one

HRID 2427680
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HRID 2427680 반응식
CO[C:3](=[O:17])[C:4]1[C:9]([C:10]([F:13])([F:12])[F:11])=[CH:8][C:7]([F:14])=[CH:6][C:5]=1[CH2:15]Br.[CH2:18]([C:20]1[CH:27]=[CH:26][C:23]([CH2:24][NH2:25])=[CH:22][CH:21]=1)[CH3:19].C([O-])([O-])=O.[K+].[K+].C(OCC)(=O)C>C1(C)C=CC=CC=1.CCCCCC>[F:14][C:7]1[CH:6]=[C:5]2[C:4](=[C:9]([C:10]([F:11])([F:12])[F:13])[CH:8]=1)[C:3](=[O:17])[N:25]([CH2:24][C:23]1[CH:26]=[CH:27][C:20]([CH2:18][CH3:19])=[CH:21][CH:22]=1)[CH2:15]2
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참가 물질

7

반응물 4

HCID 8857Ethyl AcetateHCID 11430Potassium CarbonateHCID 38702194-ethylbenzylamineHCID 672518684-Fluoro-2-bromomethyl-6-trifluoromethyl-benzoic acid methyl ester

생성물 1

HCID 160397175-Fluoro-2-(4-ethyl-benzyl)-7-trifluoromethyl-2,3-dihydro-isoindol-1-one수율 333.5%

시약·촉매·용매 2

HCID 1140
Toluene
용매
HCID 8058Hexane용매

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온도
100 °C

실험 절차

A mixture of 4-fluoro-2-bromomethyl-6-trifluoromethyl-benzoic acid methyl ester (0.100 g, 0.32 mmol), 4-ethyl-benzylamine (0.06 mL, 0.42 mmol), and K2CO3 (0.088 g, 0.64 mmol) in toluene (4 mL) was heated with stirring at 100° C. for 2 h. Workup and silica gel column chromatography using 30% ethyl acetate in hexane afforded 5-fluoro-2-(4-ethyl-benzyl)-7-trifluoromethyl-2,3-dihydro-isoindol-1-one (0.36 g, 33%). 1H NMR (300 MHz, CDCl3): δ (ppm) 1.22 (t, 3H), 2.65 (q, 2H), 4.27 (s, 2H), 4.78 (s, 2H) 7.20-7.56 (m, 6H). GC-MS: m/z 337 (M)+, 318 (M−19)+.

후처리

  1. temperaturewas heated

출처 및 근거

ORD 기록
ord-6f56873185744c08b40f950dbd8a6f79
출처 데이터셋
uspto-grants-2011_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07968570B2

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