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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Lithium hydroxide, monohydrate → 1-(5-(2-Fluorophenyl)pyrimidin-2-yl)-3-(methylsulfinyl)-1H-indole-6-carboxylic acid

HRID 630468
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HRID 630468 반응식
O.[OH-].[Li+].[F:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[C:11]1[CH:12]=[N:13][C:14]([N:17]2[C:25]3[C:20](=[CH:21][CH:22]=[C:23]([C:26]([O:28]C)=[O:27])[CH:24]=3)[C:19]([S:30]([CH3:32])=[O:31])=[CH:18]2)=[N:15][CH:16]=1>O.C1COCC1.O>[F:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[C:11]1[CH:12]=[N:13][C:14]([N:17]2[C:25]3[C:20](=[CH:21][CH:22]=[C:23]([C:26]([OH:28])=[O:27])[CH:24]=3)[C:19]([S:30]([CH3:32])=[O:31])=[CH:18]2)=[N:15][CH:16]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 168937Lithium hydroxide, monohydrateHCID 118666349Methyl 1-(5-(2-fluorophenyl)pyrimidin-2-yl)-3-(methylsulfinyl)-1H-indole-6-carboxylate

생성물 1

HCID 1186660891-(5-(2-Fluorophenyl)pyrimidin-2-yl)-3-(methylsulfinyl)-1H-indole-6-carboxylic acid

시약·촉매·용매 2

HCID 962Water용매HCID 21881883Oxolane--water (1/1)용매

실험 절차

Lithium hydroxide monohydrate (0.34 g, 8.05 mmol) in water (2 mL) was added to an ice-cooled suspension of methyl ester 51d) (2.2 g, 5.37 mmol) in THF/water (1:1; 40 mL) and the resulting mixture was stirred at room temperature for 16 h. The solvent was removed under vacuum and the remnant was dissolved in water (20 mL) and washed with ethyl acetate (2×20 mL). The aqueous phase was acidified with sodium hydrogen sulfate and extracted with dichloromethane (2×50 mL). The organic layers were dried over sodium sulfate and evaporated. White solid. Yield: 1.8 g (85% of theory). HPLC-MS (method 5): Rt=2.6 min; m/z [M+H]+=396

후처리

  1. temperaturecooled
  2. customThe solvent was removed under vacuum
  3. dissolutionthe remnant was dissolved in water (20 mL)
  4. washwashed with ethyl acetate (2×20 mL)
  5. extractionextracted with dichloromethane (2×50 mL)
  6. dry with materialThe organic layers were dried over sodium sulfate
  7. customevaporated

출처 및 근거

ORD 기록
ord-fb25cdfebbae4ef3852b4a5fc4c95677
출처 데이터셋
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09315490B2

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