3-Methyl-2-butenoyl chloride → HCID 86591730, 화합물

HRID 2211869

반응식

HRID 2211869 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.[CH3:26][C:27]([CH3:32])=[CH:28][C:29](Cl)=[O:30]>>[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:29](=[O:30])[CH:28]=[C:27]([CH3:32])[CH3:26])[CH2:12][CH2:11]2)=[N:2]1

참가 물질

3

반응물 2

HCID 1023943-Methyl-2-butenoyl chlorideHCID 219632182-[2-(4-1,2-Benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenylamine

생성물 1

HCID 86591730HCID 86591730, 화합물수율 77.9%

실험 절차

Starting from 2-[2-(4-1,2-benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenylamine (300 mg, 0.84 mmol) and 3,3 dimethyl acryloyl chloride (98 μL, 0.88 mmol) and following the procedure as outlined in Example 1, 287 mg of 3-methyl-but-2-enoic acid {2-[2-(4-1,2-benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-amide was isolated as a white powder in 100% purity @ 254 nm; LCMS (APCI): 439 [M+H]+; mp 175° C.

출처 및 근거

ORD 기록
ord-06e35ec3bb9c46d58936eb51c0735a92
출처 데이터셋
uspto-grants-2006_09
특허 번호
US07101886B2

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