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Triethylamine → 6-(Dibenzylamino)-8-fluoroisoquinolin-1(2H)-one

HRID 735540
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HRID 735540 반응식
ClC([O:4][CH2:5][CH3:6])=O.[CH2:7]([N:14]([CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[C:15]1[CH:16]=[C:17](/[CH:22]=[CH:23]/C(O)=O)C=[C:19]([F:21])[CH:20]=1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.C([N:36](CC)CC)C.[N-]=[N+]=[N-].[Na+]>CC(C)=O.O>[CH2:7]([N:14]([CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[C:15]1[CH:16]=[C:17]2[C:6](=[C:19]([F:21])[CH:20]=1)[C:5](=[O:4])[NH:36][CH:23]=[CH:22]2)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 33557Sodium AzideHCID 59838035HCID 59838035, 화합물

생성물 1

HCID 598380236-(Dibenzylamino)-8-fluoroisoquinolin-1(2H)-one수율 83%

시약·촉매·용매 2

HCID 180Acetone용매2회
HCID 962Water용매

실험 절차

A solution of ethyl chloroformate (0.320 mL, 3.35 mmol) in acetone (5 mL) was added dropwise to a suspension of 19C (1.013 g, 2.80 mmol) in a mixture of acetone (30 mL) and triethylamine (0.90 mL, 6.4 mmol) at 0° C. The reaction mixture was stirred for 45 min and then a solution of sodium azide (0.350 g, 5.4 mmol) in water (8 mL) was added dropwise over 1 h. After an additional 1 h, the reaction was warmed to rt, poured into ice water, and the solid was isolated by filtration and washed with water (Do not allow the solid to dry out). (Caution: this acyl azide intermediate is potentially explosive and should be handled in small quantities behind a safety shield.) The solid was dissolved in DCM, dried (MgSO4), filtered, and the volume reduced to ˜2 mL with a stream of nitrogen. Diphenyl ether (2 mL) was added, and the crude acyl azide solution was used directly. The acyl azide solution was added slowly dropwise via addition funnel to a refluxing mixture of diphenyl ether (8.12 g) and tributylamine (2 mL), internal temperature ˜230° C. A flow of dry nitrogen was maintained through the reaction vessel to a bubbler during the reaction. Reflux was continued for an additional 1 h, after which time the majority of the solvent was removed in vacuo. The residue was cooled to room temperature and hexanes was added. The solid was collected by filtration and washed with hexanes to give 19D (0.830 g, 83%) as an off-white solid. LC-MS m/z: 359.4 (M+H)+.

후처리

  1. waitAfter an additional 1 h
  2. customthe solid was isolated by filtration
  3. washwashed with water (
  4. customto dry out)
  5. dissolution) The solid was dissolved in DCM
  6. dry with materialdried (MgSO4)
  7. filtrationfiltered
  8. additionDiphenyl ether (2 mL) was added
  9. additionThe acyl azide solution was added slowly dropwise via addition funnel to a refluxing mixture of diphenyl ether (8.12 g) and tributylamine (2 mL), internal temperature ˜230° C
  10. temperatureA flow of dry nitrogen was maintained through the reaction vessel to a bubbler during the reaction
  11. temperatureReflux
  12. waitwas continued for an additional 1 h
  13. customafter which time the majority of the solvent was removed in vacuo
  14. temperatureThe residue was cooled to room temperature
  15. additionhexanes was added
  16. filtrationThe solid was collected by filtration
  17. washwashed with hexanes

출처 및 근거

ORD 기록
ord-a7b766fd8f7d4d29824705dea970753b
출처 데이터셋
uspto-grants-2009_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07592331B2

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