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Sodium Iodide → 2-Propenoic acid, 3-iodo-, 1-methylethyl ester, (2Z)-

HRID 1465897
Notes
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Reaction equation

HRID 1465897 reaction equation
[C:1]([O:5][CH:6]([CH3:8])[CH3:7])(=[O:4])[C:2]#[CH:3].[Na+].[I-:10]>CC(O)=O>[I:10]/[CH:3]=[CH:2]\[C:1]([O:5][CH:6]([CH3:8])[CH3:7])=[O:4]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 2

HCID 5238Sodium IodideHCID 15626755Propan-2-yl prop-2-ynoate

Product 1

HCID 585036632-Propenoic acid, 3-iodo-, 1-methylethyl ester, (2Z)-Yield 84.1%

Reagents, catalysts & solvents 1

HCID 176Acetic AcidSolvent

Conditions

Temperature
115 °C

Procedure

To a mixture of isopropyl propiolate (350 g, 3.1 moles) in AcOH (1300 mL) was added NaI (930 g, 6.2 moles) at 25° C. The reaction mixture was heated to 115° C. and stirred for 1.5 hrs. The reaction mixture was cooled to 25 to 30° C. and quenched with water followed by extraction with MTBE. The organic layer was washed with saturated bicarbonate, bisulfate and brine solution. The organic layer was dried over sodium sulfate and concentrated under vacuum to give the product (Z)-isopropyl 3-iodoacrylate (626 g; 83.5%). Product was confirmed by 1H NMR.

Workup

  1. temperatureThe reaction mixture was cooled to 25 to 30° C.
  2. customquenched with water
  3. extractionfollowed by extraction with MTBE
  4. washThe organic layer was washed with saturated bicarbonate, bisulfate and brine solution
  5. dry with materialThe organic layer was dried over sodium sulfate
  6. concentrationconcentrated under vacuum

Sources & evidence

ORD record
ord-45b979ed1b044f5a9dc9bf07ca49108d
Source dataset
uspto-grants-2015_04
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08999996B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes