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Potassium Iodide → Ocaperidone

HRID 374768
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인쇄 미리보기

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HRID 374768 반응식
Br[CH2:2][CH2:3][C:4]1[C:9](=[O:10])[N:8]2[CH:11]=[CH:12][CH:13]=[C:14]([CH3:15])[C:7]2=[N:6][C:5]=1[CH3:16].Cl.[F:18][C:19]1[CH:33]=[CH:32][C:22]2[C:23]([CH:26]3[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]3)=[N:24][O:25][C:21]=2[CH:20]=1.C(=O)([O-])[O-].[Na+].[Na+].[I-].[K+]>O.CC(C)CC(=O)C>[F:18][C:19]1[CH:33]=[CH:32][C:22]2[C:23]([CH:26]3[CH2:27][CH2:28][N:29]([CH2:2][CH2:3][C:4]4[C:9](=[O:10])[N:8]5[CH:11]=[CH:12][CH:13]=[C:14]([CH3:15])[C:7]5=[N:6][C:5]=4[CH3:16])[CH2:30][CH2:31]3)=[N:24][O:25][C:21]=2[CH:20]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 4875Potassium IodideHCID 10340Sodium CarbonateHCID 11334359R-56109 hydrochlorideHCID 18995805HCID 18995805, 화합물

생성물 1

HCID 71351Ocaperidone수율 47.6%

시약·촉매·용매 2

HCID 962Water용매
HCID 7909
Methyl Isobutyl Ketone
용매

실험 절차

A mixture of 4.8 parts of 3-(2-bromoethyl)-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one, 3.9 parts of 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole monohydrochloride, 10 parts of sodium carbonate, a few crystals of potassium iodide and 144 parts of 4-methyl-2-pentanone was stirred overnight at room temperature. After cooling, the reaction mixture was poured into water. The organic layer was separated, dried, filtered and evaporated. The residue was purified by column chromatography (silica gel; CH2Cl2 /CH3OH 95:5). The eluent of the desired fraction was evaporated and the residue was crystallized from acetonitrile, yielding 3 parts (47.6%) of 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-2,9-dimethyl-4H-pyrido[1,2-a]-pyrimidin-4-one; mp. 199.9° C. (comp. 1).

후처리

  1. temperatureAfter cooling
  2. customThe organic layer was separated
  3. customdried
  4. filtrationfiltered
  5. customevaporated
  6. customThe residue was purified by column chromatography (silica gel; CH2Cl2 /CH3OH 95:5)
  7. customThe eluent of the desired fraction was evaporated
  8. customthe residue was crystallized from acetonitrile

출처 및 근거

ORD 기록
ord-97613a49ed404f53a6434082a6e6852a
출처 데이터셋
uspto-grants-1996_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05482943

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