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Hydrochloric Acid → 4-[4-(2-Fluoro-4-methanesulfonyl-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid isopropyl ester

HRID 1931632
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HRID 1931632 반응식
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]2[C:18]3=[N:19][CH:20]=[N:21][C:22]([O:23][C:24]4[CH:29]=[CH:28][C:27]([S:30]([CH3:33])(=[O:32])=[O:31])=[CH:26][C:25]=4[F:34])=[C:17]3[CH:16]=[N:15]2)[CH2:10][CH2:9]1)=[O:7])(C)([CH3:3])[CH3:2].Cl.C(N(CC)CC)C.ClC(OC(C)C)=O>O1CCOCC1.O.C(OCC)(=O)C>[CH:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]2[C:18]3=[N:19][CH:20]=[N:21][C:22]([O:23][C:24]4[CH:29]=[CH:28][C:27]([S:30]([CH3:33])(=[O:32])=[O:31])=[CH:26][C:25]=4[F:34])=[C:17]3[CH:16]=[N:15]2)[CH2:10][CH2:9]1)=[O:7])([CH3:3])[CH3:2]
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참가 물질

8

반응물 4

HCID 313Hydrochloric AcidHCID 7917Isopropyl chloroformateHCID 8471TriethylamineHCID 44514402HCID 44514402, 화합물

생성물 1

HCID 445141094-[4-(2-Fluoro-4-methanesulfonyl-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid isopropyl ester수율 35%

시약·촉매·용매 3

HCID 962
Water
용매
HCID 8857Ethyl Acetate용매
HCID 312751,4-Dioxane용매

실험 절차

A mixture of 4-[4-(2-fluoro-4-methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester (Example 60; 90 mg, 0.18 mmol) and 4 M HCl in dioxane (2 mL) was stirred at room temperature for 5 h. The solvent was evaporated and the residue was dried in vacuo to give a solid. To the solid were added ethyl acetate (3 mL) and triethylamine (74 mg, 0.73 mmol). The mixture was cooled to 10° C. and isopropyl chloroformate (1 M in toluene; 0.22 mL, 0.22 mmol) was added dropwise. The reaction mixture was allowed to warm to room temperature and stirred overnight. Water was added and the mixture was extracted with ethyl acetate. The combined organic layers were dried (sodium sulfate), filtered, evaporated, and purified by flash chromatography, eluting with 30% ethyl acetate/hexanes, to give 4-[4-(2-fluoro-4-methanesulfonyl-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid isopropyl ester (30 mg, 35%) as an off-white solid. Mass spectrum (ES) MH+=478.

후처리

  1. customThe solvent was evaporated
  2. customthe residue was dried in vacuo
  3. customto give a solid
  4. temperatureThe mixture was cooled to 10° C.
  5. temperatureto warm to room temperature
  6. stirringstirred overnight
  7. extractionthe mixture was extracted with ethyl acetate
  8. dry with materialThe combined organic layers were dried (sodium sulfate)
  9. filtrationfiltered
  10. customevaporated
  11. custompurified by flash chromatography
  12. washeluting with 30% ethyl acetate/hexanes

출처 및 근거

ORD 기록
ord-dedcfa9904ad4cdb92f89aca3148196b
출처 데이터셋
uspto-grants-2012_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08188098B2

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