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N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5,8-dihydro-6H-spiro[1-benzothieno[2,3-d]pyrimidine-7,2'-[1,3]dioxolan]-4-amine hydrochloride → 4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-5,8-dihydro[1]benzothieno[2,3-d]pyrimidin-7(6H)-one hydrochloride

HRID 222030
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인쇄 미리보기

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HRID 222030 반응식
Cl.[Cl:2][C:3]1[CH:4]=[C:5]([NH:17][C:18]2[C:19]3[C:26]4[CH2:27][CH2:28][C:29]5([CH2:34][C:25]=4[S:24][C:20]=3[N:21]=[CH:22][N:23]=2)OCC[O:30]5)[CH:6]=[CH:7][C:8]=1[O:9][CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][N:12]=1>C(O)(=O)C.O>[ClH:2].[Cl:2][C:3]1[CH:4]=[C:5]([NH:17][C:18]2[C:19]3[C:26]4[CH2:27][CH2:28][C:29](=[O:30])[CH2:34][C:25]=4[S:24][C:20]=3[N:21]=[CH:22][N:23]=2)[CH:6]=[CH:7][C:8]=1[O:9][CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][N:12]=1
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참가 물질

3

반응물 1

HCID 67313375N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5,8-dihydro-6H-spiro[1-benzothieno[2,3-d]pyrimidine-7,2'-[1,3]dioxolan]-4-amine hydrochloride

생성물 1

HCID 673130304-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-5,8-dihydro[1]benzothieno[2,3-d]pyrimidin-7(6H)-one hydrochloride수율 177.3%

시약·촉매·용매 1

HCID 21899381Acetic acid--water (1/1)용매

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온도
80 °C

실험 절차

To a stirring acetic acid/H2O solution (4:1, 250 mL) was added N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5,8-dihydro-6H-spiro[1-benzothieno[2,3-d]pyrimidine-7,2′-[1,3]dioxolan]-4-amine hydrochloride (10.0 g, 19.3 mmol), and the contents heated at 80° C. for 40 h. The dark colored mixture was cooled to rt, and the solvent removed under reduced pressure. The crude residue was suspended in water (200 mL), stirred for 10 min., and filtered. The collected solid was further washed with H2O (300 mL) and ether (100 mL) to afford the desired product as a brown solid (8.1 g, 89%). 1H-NMR (DMSO-d6) δ 8.71 (d, 1H), 8.54 (s, 1H), 8.42 (s, 1H), 8.10 (td, 1H), 7.78 (d, 1H), 7.75 (d, 1H), 7.56 (m, 2H), 7.25 (d, 1H), 5.38 (s, 2H), 5.08 (br, 1H), 3.76 (s, 2H), 3.50 (t, 2H), 2.69 (t, 2H); LCMS RT=2.44 min; [M+H]+=437.3.

후처리

  1. temperatureThe dark colored mixture was cooled to rt
  2. customthe solvent removed under reduced pressure
  3. filtrationfiltered
  4. washThe collected solid was further washed with H2O (300 mL) and ether (100 mL)

출처 및 근거

ORD 기록
ord-4da3c71f13ec4457a2c91b413e45043d
출처 데이터셋
uspto-grants-2012_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08207172B2

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