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1-Methylpiperazine → 2-Fluoro-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline

HRID 536374
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인쇄 미리보기

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HRID 536374 반응식
Br[C:2]1[C:8]([C:9]([F:12])([F:11])[F:10])=[CH:7][C:5]([NH2:6])=[C:4]([F:13])[CH:3]=1.[CH3:14][N:15]1[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]1.C(P(C(C)(C)C)C1C=CC=CC=1C1C(C(C)C)=CC(C(C)C)=CC=1C(C)C)(C)(C)C.CC([O-])(C)C.[Na+]>C1COCC1>[F:13][C:4]1[CH:3]=[C:2]([N:18]2[CH2:19][CH2:20][N:15]([CH3:14])[CH2:16][CH2:17]2)[C:8]([C:9]([F:12])([F:11])[F:10])=[CH:7][C:5]=1[NH2:6]
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참가 물질

6

반응물 4

HCID 531671-MethylpiperazineHCID 70180464-Bromo-2-fluoro-5-(trifluoromethyl)anilineHCID 11618717Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphaneHCID 23676156Sodium t-butoxide

생성물 1

HCID 671555682-Fluoro-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline

시약·촉매·용매 1

HCID 8028
Tetrahydrofuran
용매

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온도
120 °C

실험 절차

To a microwave reaction tube was added 4-bromo-2-fluoro-5-(trifluoromethyl)aniline (256 mg, 1.0 mmol), 1-methylpiperazine (300 mg, 3 mmol) Pd2(dba)3 (91.5 mg, 0.1 mmol), di-tert-butyl(2′,4′,6′-triisopropylbiphenyl-2-yl)phosphine (60 mg, 0.2 mmol), NaOtBu (144 mg, 1.5 mmol) and THF (3 mL). After the reaction tube was degassed and filled with N2, the tube was heated to 120° C. in a microwave reactor for 40 min. The mixture was then poured into saturated NH4Cl aqueous solution (10 mL) and extracted with EtOAc (3×10 mL). The organic layers were combined and concentrated. The residue was purified by flash column chromatography (silica gel, gradient MeOH/CH2Cl2, 0˜10%) to provide 2-fluoro-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline as a white solid. ESMS m/z 278.1 (M+H+).

후처리

  1. customTo a microwave reaction tube
  2. customAfter the reaction tube was degassed
  3. additionfilled with N2
  4. additionThe mixture was then poured into saturated NH4Cl aqueous solution (10 mL)
  5. extractionextracted with EtOAc (3×10 mL)
  6. concentrationconcentrated
  7. customThe residue was purified by flash column chromatography (silica gel, gradient MeOH/CH2Cl2, 0˜10%)

출처 및 근거

ORD 기록
ord-a88f0a42c7d64b8a87cd433d9479196c
출처 데이터셋
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08859574B2

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