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Calcium Carbonate → 6-Chloro-2-(4-fluorophenyl)-1H-indole

HRID 1016645
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HRID 1016645 반응식
[Cl:1][C:2]1[CH:3]=[CH:4][C:5](I)=[C:6]([CH:8]=1)[NH2:7].[C:10]([C:12]1[CH:17]=[CH:16][C:15]([F:18])=[CH:14][CH:13]=1)#[CH:11].C(=O)([O-])[O-].[Ca+2]>C(NCC)C.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[Cu]I>[Cl:1][C:2]1[CH:8]=[C:6]2[C:5]([CH:11]=[C:10]([C:12]3[CH:17]=[CH:16][C:15]([F:18])=[CH:14][CH:13]=3)[NH:7]2)=[CH:4][CH:3]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 3

HCID 10112Calcium CarbonateHCID 5226271-Ethynyl-4-fluorobenzeneHCID 6396975-Chloro-2-iodoaniline

생성물 1

HCID 184070336-Chloro-2-(4-fluorophenyl)-1H-indole수율 85%

시약·촉매·용매 3

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)촉매2회
HCID 178418397
HCID 178418397, 화합물
촉매
HCID 8021Diethylamine용매

실험 절차

A mixture of 5-chloro-2-iodoaniline (33.0 g, 0.13 mol) and 1-ethynyl-4-fluorobenzene (26.4 g, 0.22 mol) in diethylamine (400 mL) was degassed with bubbling nitrogen for 20 min., then tetrakis(triphenylphosphine)palladium(0) (2.0 g, 1.7 mmol) and copper (I) iodide (170 mg, 0.9 mmol) were added and the mixture was stirred at room temperature for 12 h. The solvent was evaporated under reduced pressure, water was added and the mixture was extracted with ethyl acetate. The combined organic fractions were washed with water (2×), dried (MgSO4) and the solvent was evaporated under reduced pressure. The residue was dissolved in dimethylformamide (250 mL), calcium carbonate (13 g, 0.13 mol) and copper (I) iodide (12.4 g, 0.07 mol) were added and the mixture was stirred at 120° C. for 22 h. The mixture was cooled, filtered and the solvent was evaporated under reduced pressure. Water was added and the mixture was extracted with ethyl acetate. The combined organic fractions were washed with water (2×) and brine, dried (MgSO4) and the solvent was evaporated under reduced pressure. The residue was triturated with ether/hexane and the solid was collected and dried in vacuo to give the title compound (25.4 g, 85%). 1H NMR (360 MHz, CDCl3) δ 7.59 (2H, m), 7.49 (1H, d, J 8.5 Hz), 7.44 (1H, s), 7.24-6.99 (3H, m), and 6.69 (1H, d, J 1.8 Hz).

후처리

  1. customwas degassed with bubbling nitrogen for 20 min.
  2. customThe solvent was evaporated under reduced pressure, water
  3. additionwas added
  4. extractionthe mixture was extracted with ethyl acetate
  5. washThe combined organic fractions were washed with water (2×)
  6. dry with materialdried (MgSO4)
  7. customthe solvent was evaporated under reduced pressure
  8. dissolutionThe residue was dissolved in dimethylformamide (250 mL)
  9. stirringthe mixture was stirred at 120° C. for 22 h
  10. temperatureThe mixture was cooled
  11. filtrationfiltered
  12. customthe solvent was evaporated under reduced pressure
  13. additionWater was added
  14. extractionthe mixture was extracted with ethyl acetate
  15. washThe combined organic fractions were washed with water (2×) and brine
  16. dry with materialdried (MgSO4)
  17. customthe solvent was evaporated under reduced pressure
  18. customThe residue was triturated with ether/hexane
  19. customthe solid was collected
  20. customdried in vacuo

출처 및 근거

ORD 기록
ord-4efa7ef293a542eca902132c550cedb2
출처 데이터셋
uspto-grants-2002_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06476045B2

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