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Sodium Iodide → ethyl (2E)-4-(diformylamino)but-2-enoate

HRID 1056060
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HRID 1056060 반응식
[CH:1]([N-:3][CH:4]=[O:5])=[O:2].[Na+].[Na+].[I-].Br[CH2:10]/[CH:11]=[CH:12]/[C:13]([O:15][CH2:16][CH3:17])=[O:14]>C(#N)C>[CH:1]([N:3]([CH2:10]/[CH:11]=[CH:12]/[C:13]([O:15][CH2:16][CH3:17])=[O:14])[CH:4]=[O:5])=[O:2]
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참가 물질

5

반응물 3

HCID 5238Sodium IodideHCID 5373944Ethyl (E)-4-bromobut-2-enoateHCID 10877056Sodium Diformylamide

생성물 1

HCID 58465259ethyl (2E)-4-(diformylamino)but-2-enoate수율 85%

시약·촉매·용매 1

HCID 6342Acetonitrile용매

실험 절차

Prepared according to WO 2010/031816. In a 250 mL RBF, sodium diformylamide (Fluka; 2.66 g, 28.0 mmol) and NaI (3.49 g, 23.31 mmol) were treated with ACN (60 mL) and (E)-ethyl 4-bromobut-2-enoate (Aldrich; 4.28 mL, 23.31 mmol) and the flask was fitted with a reflux condenser and heated at reflux overnight (16 h). The mixture was concentrated in vacuo and the crude residue was treated with water and extracted with EtOAc (100 mL). The organic extract was washed with brine, then dried over MgSO4, filtered, and concentrated. The resulting light-brown solid was suspended in Et2O (ca. 10 mL), filtered, and washed with Et2O (5 mL), then dried by drawing air through the filtercake for 2 min to afford (E)-ethyl 4-(N-formylformamido)but-2-enoate (3.66 g, 19.76 mmol, 85% yield) as a brown amorphous solid: 1H NMR (400 MHz, CDCl3) δ ppm 8.91 (2H, br. s.), 6.74-6.84 (1H, m), 5.90 (1H, dt, J=15.8, 1.6 Hz), 4.40 (2H, d, J=4.5 Hz), 4.13-4.24 (2H, m), 1.20-1.33 (3H, m). m/z (ESI, +ve ion) 186.1 (M+H)+. The crude material was used in the subsequent step without further purification.

후처리

  1. customPrepared
  2. customthe flask was fitted with a reflux condenser
  3. temperatureheated
  4. temperatureat reflux overnight (16 h)
  5. concentrationThe mixture was concentrated in vacuo
  6. additionthe crude residue was treated with water
  7. extractionextracted with EtOAc (100 mL)
  8. extractionThe organic extract
  9. washwas washed with brine
  10. dry with materialdried over MgSO4
  11. filtrationfiltered
  12. concentrationconcentrated
  13. filtrationfiltered
  14. washwashed with Et2O (5 mL)
  15. customdried
  16. customfor 2 min

출처 및 근거

ORD 기록
ord-6d6cb7382aa64e64a84b157902743a81
출처 데이터셋
uspto-grants-2016_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09394297B2

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