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Triethylamine → 2-(dimethylamino)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-4-carbonitrile

HRID 17442
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인쇄 미리보기

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HRID 17442 반응식
[CH3:1][N:2]([CH3:22])[C:3]1[O:4][C:5]2[C:6](=[C:8]([C:20]#[N:21])[C:9]([CH3:19])=[C:10]([C:13]3[N:14]=[C:15]([CH3:18])[S:16][CH:17]=3)[C:11]=2F)[N:7]=1.C(N(CC)CC)C.[CH3:30][N:31]([CH3:37])[C@H:32]1[CH2:36][CH2:35][NH:34][CH2:33]1>CS(C)=O.C(OCC)(=O)C>[CH3:1][N:2]([CH3:22])[C:3]1[O:4][C:5]2[C:6](=[C:8]([C:20]#[N:21])[C:9]([CH3:19])=[C:10]([C:13]3[N:14]=[C:15]([CH3:18])[S:16][CH:17]=3)[C:11]=2[N:34]2[CH2:35][CH2:36][C@H:32]([N:31]([CH3:37])[CH3:30])[CH2:33]2)[N:7]=1
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참가 물질

6

반응물 3

HCID 8471TriethylamineHCID 7019156(3S)-(-)-3-(Dimethylamino)pyrrolidineHCID 685853432-(Dimethylamino)-7-fluoro-5-methyl-6-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-4-carbonitrile

생성물 1

HCID 685857222-(dimethylamino)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-4-carbonitrile

시약·촉매·용매 2

HCID 679
Dimethyl Sulfoxide
용매
HCID 8857Ethyl Acetate용매

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온도
110 °C

실험 절차

2-(Dimethylamino)-7-fluoro-5-methyl-6-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-4-carbonitrile (I-171) (0.44 g, 1.39 mmol) was suspended in dimethyl sulfoxide (10 ml), then triethylamine (0.42 ml 3.03 mmol) and (3S)-3-(dimethylamino)pyrrolidine (0.38 ml, 3.00 mmol) were added, followed by stirring at an external temperature of about 110° C. for 4 hours. This was diluted with ethyl acetate, washed with water, and dried over anhydrous sodium sulfate. The solvent was evaporated away under reduced pressure, and the resulting residue was purified by silica gel column chromatography (dichloromethane:methanol=50:1 to 10:1) to obtain a brown amorphous substance (0.51 g, 83%).

후처리

  1. washwashed with water
  2. dry with materialdried over anhydrous sodium sulfate
  3. customThe solvent was evaporated away under reduced pressure
  4. customthe resulting residue was purified by silica gel column chromatography (dichloromethane:methanol=50:1 to 10:1)
  5. customto obtain a brown amorphous substance (0.51 g, 83%)

출처 및 근거

ORD 기록
ord-fb891ccb48cb47bb8e581d1314cd2516
출처 데이터셋
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07737166B2

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