3-Fluorophenyl isocyanate → 4-(3,4-Dibromo-benzyl)-piperazine-1-carboxylic acid (3-fluoro-phenyl)-amide

HRID 1817074

반응식

HRID 1817074 반응식
[Br:1][C:2]1[CH:3]=[C:4]([CH:12]=[CH:13][C:14]=1[Br:15])[CH2:5][N:6]1[CH2:11][CH2:10][NH:9][CH2:8][CH2:7]1.[F:16][C:17]1[CH:18]=[C:19]([N:23]=[C:24]=[O:25])[CH:20]=[CH:21][CH:22]=1>C(Cl)Cl>[F:16][C:17]1[CH:18]=[C:19]([NH:23][C:24]([N:9]2[CH2:10][CH2:11][N:6]([CH2:5][C:4]3[CH:12]=[CH:13][C:14]([Br:15])=[C:2]([Br:1])[CH:3]=3)[CH2:7][CH2:8]2)=[O:25])[CH:20]=[CH:21][CH:22]=1

참가 물질

4

반응물 2

HCID 1230643-Fluorophenyl isocyanateHCID 32575461-(3,4-Dibromo-benzyl)-piperazine

생성물 1

HCID 115184494-(3,4-Dibromo-benzyl)-piperazine-1-carboxylic acid (3-fluoro-phenyl)-amide

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

A solution of 1-(3,4-dibromo-benzyl)-piperazine (167 mg) in DCM (2 mL) was treated with 3-fluorophenyl isocyanate (0.07 mL). After 16 h, the resulting mixture was chromatographed, giving the title compound as a white foam (188 mg). 1H NMR (400 MHz, CDCl3): 7.61 (d, J=2.0 Hz, 1H), 7.56 (d, J=8.1 Hz, 1H), 7.31-7.12 (m, 3H), 7.01-6.97 (m, 1H), 6.75-6.99 (m, 1H), 6.47 (br m, 1H), 3.51-3.47 (m, 4H), 3.45 (s, 2H), 2.48-2.43 (m, 4H).

후처리

  1. customthe resulting mixture was chromatographed

출처 및 근거

ORD 기록
ord-f71ee5212ff64cc799450f3df444ea85
출처 데이터셋
uspto-grants-2009_10
특허 번호
US07598249B2

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