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Benzene, 1-chloro-3-isocyanato- → N-(3-chlorophenyl)-4-(2-(trifluoromethyl)phenoxy)piperidine-1-carboxamide

HRID 606271
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HRID 606271 반응식
Cl.[F:2][C:3]([F:18])([F:17])[C:4]1[CH:16]=[CH:15][CH:14]=[CH:13][C:5]=1[O:6][CH:7]1[CH2:12][CH2:11][NH:10][CH2:9][CH2:8]1.[Cl:19][C:20]1[CH:21]=[C:22]([N:26]=[C:27]=[O:28])[CH:23]=[CH:24][CH:25]=1.C(N(CC)C(C)C)(C)C>ClCCl>[Cl:19][C:20]1[CH:21]=[C:22]([NH:26][C:27]([N:10]2[CH2:11][CH2:12][CH:7]([O:6][C:5]3[CH:13]=[CH:14][CH:15]=[CH:16][C:4]=3[C:3]([F:2])([F:17])[F:18])[CH2:8][CH2:9]2)=[O:28])[CH:23]=[CH:24][CH:25]=1
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참가 물질

5

반응물 3

HCID 17968Benzene, 1-chloro-3-isocyanato-HCID 81531DiisopropylethylamineHCID 171780044-(2-(Trifluoromethyl)phenoxy)piperidine hydrochloride

생성물 1

HCID 11223281N-(3-chlorophenyl)-4-(2-(trifluoromethyl)phenoxy)piperidine-1-carboxamide

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

실험 절차

A solution of 4-(2-trifluoromethylphenoxy)piperidine hydrochloride (42 mg, 0.15 mmol), 3-chlorophenyl isocyanate (36 mg, 0.30 mmol), and N,N-diisopropylethylamine (78 μL, 0.45 mmol) was stirred in dichloromethane (2 mL) at room temperature for overnight. The reaction mixture was diluted with dichloromethane and the solution was washed successively with 1N HCl, and NaHCO3 (sat.)/brine. The organic fraction was dried over MgSO4, filtered, and concentrated. The compound was purified by radial silica gel chromatography (1:20 to 1:2 ethyl acetate:hexanes) to afford the product which was 98% pure by LCMS analysis (15.7 mg, 26%).

후처리

  1. washthe solution was washed successively with 1N HCl, and NaHCO3 (sat.)/brine
  2. dry with materialThe organic fraction was dried over MgSO4
  3. filtrationfiltered
  4. concentrationconcentrated
  5. customThe compound was purified by radial silica gel chromatography (1:20 to 1:2 ethyl acetate:hexanes)
  6. customto afford the product which

출처 및 근거

ORD 기록
ord-5945733f9abc4babaa5c79a78509b4b6
출처 데이터셋
uspto-grants-2011_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07915293B2

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