N-Iodosuccinimide → 1-Bromo-3-(3-fluoro-4-iodobutyl)-benzene

HRID 30572Notes

Reaction equation

HRID 30572 reaction equation
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([CH2:8][CH2:9][CH:10]=[CH2:11])[CH:3]=1.[I:12]N1C(=O)CCC1=O.CCCC[N+](CCCC)(CCCC)CCCC.[FH:37].F.[F-]>C(Cl)Cl>[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([CH2:8][CH2:9][CH:10]([F:37])[CH2:11][I:12])[CH:3]=1

Participants

5

Conditions

Temperature
0 °C

Procedure

A solution of 0.245 gm (1.16 mmol) of 1-bromo-3-but-3-enylbenzene in CH2Cl2 at 0° C. was treated with 0.39 gm (1.74 mmol) of N-iodosuccinimide and 1.05 gm (1.74 mmol) of 50% wt/wt tetrabutylammoniumdihydrogen trifluoride in CH2Cl2, stirred at 0° C. for 2 h, warmed to room temperature over a 1 h period and poured into CH2Cl2. The resultant organic phase was washed sequentially with water and brine, dried over Na2SO4 and concentrated under reduced pressure. Chromatography of the concentrate on silica gel with a gradient of hexanes to 7.0% EtOAc-hexanes afforded 1-bromo-3-(3-fluoro-4-iodo-butyl)-benzene as an oil, 0.40 gm (50% yield); 1H NMR (400 MHz, CDCl3) δ: 2.03 (m, 2H), 2.74 (m, 2H), 3.29 (dd, 2H, J=5.4, 19.1 Hz), 4.47 (m, 1H), 7.12 (m, 2H), 7.32 (m, 2H).

Workup

  1. temperaturewarmed to room temperature over a 1 h period
  2. washThe resultant organic phase was washed sequentially with water and brine
  3. dry with materialdried over Na2SO4
  4. concentrationconcentrated under reduced pressure
  5. concentrationChromatography of the concentrate on silica gel with a gradient of hexanes to 7.0% EtOAc-hexanes

Sources & evidence

ORD record
ord-c4495aa416a14ef38c76020ea2551afd
Source dataset
uspto-grants-2008_09
Patent number
US07423158B2

Reaction notes

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