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Hexachloroethane → 1-chloro-10H-phenothiazine

HRID 1626235
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HRID 1626235 반응식
[CH:1]1[C:14]2[NH:13][C:12]3[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=3)[S:6][C:5]=2[CH:4]=[CH:3][CH:2]=1.[Li]CCCC.[Li]C(C)(C)C.[Cl:25]C(Cl)(Cl)C(Cl)(Cl)Cl>C1COCC1>[Cl:25][C:11]1[C:12]2[NH:13][C:14]3[C:5](=[CH:4][CH:3]=[CH:2][CH:1]=3)[S:6][C:7]=2[CH:8]=[CH:9][CH:10]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 6214HexachloroethaneHCID 7108PhenothiazineHCID 178418306HCID 178418306, 화합물HCID 178418339Butyllithium

생성물 1

HCID 3509221-chloro-10H-phenothiazine

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매3회

실험 절차

This compound was prepared according to a procedure by A. R. Katritzky et al., Synthesis, 1988, 215-217. To a solution of phenothiazine (10.0 g, 50.18 mmol) in anhydrous THF (200 mL) and cooled to −78° C. was added a solution of n-BuLi (24.1 mL, 60.2 mmol, 2.5 M in hexanes) dropwise. The mixture was stirred until a yellow precipitate formed, and then allowed to warm to room temperature, until a clear yellow solution resulted. The solution was again cooled to −78° C. and CO2 gas was bubbled through the mixture for 5 min. The resulting solution was allowed to warm to RT and the solvent was evaporated to give a residue. The residue was again dissolved in anhydrous THF (200 mL) and cooled to −78° C., before t-BuLi (50 mL, 85 mmol, 1.7 M in pentane) was added dropwise. The resulting mixture was allowed to warm to −20° C. and was stirred at this temperature for 2 h. The reaction mixture was again cooled to −78° C. and a solution of hexachloroethane (100 mmol) in THF (50 mL) was added dropwise. The mixture was stirred at this temperature for 1 hour then allowed to warm to −20° C. and stirred for 2 h. The reaction mixture was quenched with ice cold 1 N HCL and extracted with EtOAC. The combined organic layers were washed with brine, dried over MgSO4, filtered and evaporated to give a residue. The residue was purified by flash silica gel chromatography to give of an beige solid.

후처리

  1. customThis compound was prepared
  2. customKatritzky et al., Synthesis, 1988, 215-217
  3. customformed
  4. customresulted
  5. temperatureThe solution was again cooled to −78° C.
  6. customCO2 gas was bubbled through the mixture for 5 min
  7. temperatureto warm to RT
  8. customthe solvent was evaporated
  9. customto give a residue
  10. additionwas added dropwise
  11. temperatureto warm to −20° C.
  12. stirringwas stirred at this temperature for 2 h
  13. temperatureThe reaction mixture was again cooled to −78° C.
  14. stirringThe mixture was stirred at this temperature for 1 hour
  15. temperatureto warm to −20° C.
  16. stirringstirred for 2 h
  17. customThe reaction mixture was quenched with ice cold 1 N HCL
  18. extractionextracted with EtOAC
  19. washThe combined organic layers were washed with brine
  20. dry with materialdried over MgSO4
  21. filtrationfiltered
  22. customevaporated
  23. customto give a residue
  24. customThe residue was purified by flash silica gel chromatography
  25. customto give of an beige solid

출처 및 근거

ORD 기록
ord-fbfc848c7cf443c5b9c0cb8c5a6be8bb
출처 데이터셋
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08785434B2

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