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

HRID 1056060
Notes
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Reaction equation

HRID 1056060 reaction equation
[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]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

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

Product 1

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

Reagents, catalysts & solvents 1

HCID 6342AcetonitrileSolvent

Procedure

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.

Workup

  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

Sources & evidence

ORD record
ord-6d6cb7382aa64e64a84b157902743a81
Source dataset
uspto-grants-2016_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09394297B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes