Chlorophenyl isocyanate → 1-{2-[2-(4-1,2-Benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-3-(2-chloro-phenyl)-urea

HRID 2211875

반응식

HRID 2211875 반응식
[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[C:3]([N:10]2[CH2:15][CH2:14][N:13]([CH2:16][CH2:17][C:18]3[CH:23]=[C:22]([F:24])[CH:21]=[CH:20][C:19]=3[NH2:25])[CH2:12][CH2:11]2)=[N:2]1.[Cl:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=1[N:33]=[C:34]=[O:35]>>[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[C:3]([N:10]2[CH2:15][CH2:14][N:13]([CH2:16][CH2:17][C:18]3[CH:23]=[C:22]([F:24])[CH:21]=[CH:20][C:19]=3[NH:25][C:34]([NH:33][C:28]3[CH:29]=[CH:30][CH:31]=[CH:32][C:27]=3[Cl:26])=[O:35])[CH2:12][CH2:11]2)=[N:2]1

참가 물질

3

반응물 2

HCID 76833Chlorophenyl isocyanateHCID 219632182-[2-(4-1,2-Benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenylamine

생성물 1

HCID 219633541-{2-[2-(4-1,2-Benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-3-(2-chloro-phenyl)-urea수율 58.8%

실험 절차

Starting from 2-[2-(4-1,2-benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenylamine (142 mg, 0.4 mmol) and 2-chlorophenyl isocyanate (56 μL, 0.4 mmol) and following the procedure as outlined in Example 60, 120 mg of 1-{2-[2-(4-1,2-benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-3-(2-chloro-phenyl)-urea was isolated as an off white powder in 100% purity @ 254 nm; LCMS (APCI): 508 [M-2H]−.

출처 및 근거

ORD 기록
ord-9f49f0b4849e4dc5be9eb2944276a1c1
출처 데이터셋
uspto-grants-2006_09
특허 번호
US07101886B2

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