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Sodium Hydroxide → Isoquinoline, 5-chloro-6-fluoro-

HRID 2402572
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HRID 2402572 반응식
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[N:7][CH:6]=[CH:5]2.[Cl:12]N1C(=O)CCC1=O.[OH-].[Na+]>S(=O)(=O)(O)O>[Cl:12][C:3]1[C:2]([F:1])=[CH:11][CH:10]=[C:9]2[C:4]=1[CH:5]=[CH:6][N:7]=[CH:8]2
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참가 물질

5

반응물 3

HCID 14798Sodium HydroxideHCID 31398Chlorosuccinimide2회HCID 218898476-Fluoroisoquinoline

생성물 1

HCID 59818261Isoquinoline, 5-chloro-6-fluoro-수율 58.4%

시약·촉매·용매 1

HCID 1118Sulfuric Acid용매

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온도
50 °C

실험 절차

7.0 g (38.1 mmol) of 6-fluoroisoquinoline (3) were dissolved in 60 mL of concentrated sulfuric acid. At 0° C. 10.18 g of N-chloro succinimide were added. After 1 h another 5.2 g of N-chloro succiminide were added and the solution was heated to 50° C. Two more portions of 5.2 g N-chloro succinimide were added successively and stirring was continued at 50° C. until the reaction was complete. The reaction mixture was cooled to room temperature, was poured on ice and adjusted to pH 10 by addition of sodium hydroxide. The precipitate was filtered off, dissolved in dichloromethane and washed with aqueous sodium hydroxide. The organic layer was dried over magnesium sulfate, evaporated and the crude product was purified by preparative HPLC to yield 4.04 g of 5-chloro-6-fluoro-isoquinoline (7) as trifluoroacetate. Rt=0.97 min (Method A). Detected mass: 182.0/184.0 (M+H+).

후처리

  1. customAt 0° C
  2. additionAfter 1 h another 5.2 g of N-chloro succiminide were added
  3. customwas continued at 50° C. until the reaction
  4. temperatureThe reaction mixture was cooled to room temperature
  5. additionwas poured on ice
  6. filtrationThe precipitate was filtered off
  7. dissolutiondissolved in dichloromethane
  8. washwashed with aqueous sodium hydroxide
  9. dry with materialThe organic layer was dried over magnesium sulfate
  10. customevaporated
  11. customthe crude product was purified by preparative HPLC

출처 및 근거

ORD 기록
ord-e464f8bd750a4159b39fe44cb3774119
출처 데이터셋
uspto-grants-2014_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08796458B2

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