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Pyridine → 3-Fluorophenyl(phenyl)carbamic Chloride

HRID 341366
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HRID 341366 반응식
[F:1][C:2]1[CH:3]=[C:4]([CH:12]=[CH:13][CH:14]=1)[NH:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.[Cl:15][C:16](Cl)([O:18]C(=O)OC(Cl)(Cl)Cl)Cl.N1C=CC=CC=1>ClCCl>[F:1][C:2]1[CH:3]=[C:4]([N:5]([C:6]2[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=2)[C:16]([Cl:15])=[O:18])[CH:12]=[CH:13][CH:14]=1
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참가 물질

5

반응물 3

HCID 1049Pyridine2회HCID 94429TriphosgeneHCID 27744663-fluoro-N-phenylaniline

생성물 1

HCID 866517013-Fluorophenyl(phenyl)carbamic Chloride

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

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온도
5 °C

실험 절차

A 3 liter three-neck mechanically stirred flask under N2 containing a solution of 3-fluoro-N-phenylaniline (86 g, 460 mmol) in 1.2 L dichloromethane was cooled in an ice bath to 0° C., and then triphosgene (150 g, 505 mmol) was added. A solution of pyridine (52 mL, 640 mmol) in dichloromethane (200 mL) was added in a dropwise fashion. Initial addition resulted in a temperature spike to 25° C. after the first 10 mL had been added over 10 min. The addition was paused, and the reaction mixture was stirred for 1 h while cooling to 5° C. Addition of the pyridine solution was again commenced at a rate of 5 mL/min, at which a reaction temperature of 5-10° C. was maintained. After addition was complete (about 1 h), the reaction had proceeded to completion, and was quenched by the slow addition of ice water (500 g). Gas formation from the quench was controlled by adjusting the stirring speed, as decomposition was largely a function of the mixing of the two immiscible layers. Gas effluent was passed through a 20% sodium hydroxide trap, until all gas evolution had ceased (about 3 h). The aqueous layer was removed, and was then extracted with an additional 300 mL of dichloromethane. The organic extracts were combined, dried over MgSO4, and the solvent was removed. Clean product was readily isolated as a viscous, pink oil, which gradually formed a pale pink solid upon seeding with crystals. LCMS m/z (%)=250.0 [M+H]+; 1H NMR (CDCl3, 400 MHz) δ 7.00-7.07 (m, 1H), 7.10 (d, J=9.6 Hz, 1H), 7.15 (d, J=8.1 Hz, 1H), 7.35 (d, J=7.7 Hz, 2H), 7.35-7.41 (m, 2H), 7.42-7.48 (m, 2H).

후처리

  1. additionInitial addition
  2. customresulted in a temperature spike to 25° C. after the first 10 mL
  3. additionhad been added over 10 min
  4. additionThe addition
  5. customa reaction temperature of 5-10° C.
  6. temperaturewas maintained
  7. additionAfter addition
  8. custom(about 1 h)
  9. customwas quenched by the slow addition of ice water (500 g)
  10. additionmixing of the two immiscible layers
  11. customGas effluent was passed through a 20% sodium hydroxide trap, until all gas evolution
  12. custom(about 3 h)
  13. customThe aqueous layer was removed
  14. extractionwas then extracted with an additional 300 mL of dichloromethane
  15. dry with materialdried over MgSO4
  16. customthe solvent was removed
  17. customClean product was readily isolated as a viscous, pink oil, which
  18. customgradually formed a pale pink solid

출처 및 근거

ORD 기록
ord-b370b79946b74eddbb35a51379cd0eca
출처 데이터셋
uspto-grants-2014_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08895776B2

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