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1,1'-Carbonyldiimidazole → Tert-butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoic acid

HRID 61874
Notes
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Reaction equation

HRID 61874 reaction equation
[C:1]([CH:5]([C:9]([OH:11])=O)[C:6]([OH:8])=[O:7])([CH3:4])([CH3:3])[CH3:2].[Cl-].[Mg+2].[Cl-].C1N=CN(C(N2C=NC=C2)=O)C=1.[CH2:27]([C:29]1[CH:34]=[CH:33][C:32]([C:35](C)([CH3:39])[C:36](O)=O)=[CH:31][C:30]=1[I:41])[CH3:28]>COCCOC>[C:1]([CH:5]([C:9](=[O:11])[C:35]([C:32]1[CH:33]=[CH:34][C:29]([CH2:27][CH3:28])=[C:30]([I:41])[CH:31]=1)([CH3:39])[CH3:36])[C:6]([OH:8])=[O:7])([CH3:4])([CH3:3])[CH3:2]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 682631,1'-CarbonyldiimidazoleHCID 2427522-Tert-butylpropanedioic acidHCID 5360315Magnesium ChlorideHCID 668346094-Ethyl-3-iodo-alpha,alpha-dimethylbenzeneacetic acid

Product 1

HCID 66834705Tert-butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoic acid

Reagents, catalysts & solvents 1

HCID 8071
1,2-Dimethoxyethane
Solvent
2×

Procedure

Mono-tert-butyl malonic acid (72.5 g) was dissolved in DME (360 ml), added with TEA (189 ml) and magnesium chloride (29.63 g) and the mixture was stirred for 2 hrs. In a separate vessel, CDI (52.75 g) was added to the DME (360 ml) solution of 2-(4-ethyl-3-iodophenyl)-2-methylpropanoic acid (90 g) and stirred at room temperature for 1 hr to prepare a solution. This solution was then added dropwise to the aforementioned mixture, and the resulting solution was washed with DME (90 ml) and stirred at 70° C. for 3 hrs. The reaction mixture was diluted with isopropyl acetate (225 ml) and heptane (225 ml), and the organic layer was washed with 2 N hydrochloric acid (684 ml), 0.17 N hydrochloric acid (540 ml), 15% aqueous solution of ammonium chloride (540 ml), 1 N aqueous solution of sodium hydroxide (540 ml) and 15% brine (540 ml) in order. The organic layer was concentrated under reduced pressure to obtain the title compound as a crude product, which was used for the next step without further purification.

Workup

  1. stirringstirred at room temperature for 1 hr
  2. customto prepare a solution
  3. additionThis solution was then added dropwise to the aforementioned mixture
  4. washthe resulting solution was washed with DME (90 ml)
  5. stirringstirred at 70° C. for 3 hrs
  6. additionThe reaction mixture was diluted with isopropyl acetate (225 ml) and heptane (225 ml)
  7. washthe organic layer was washed with 2 N hydrochloric acid (684 ml), 0.17 N hydrochloric acid (540 ml), 15% aqueous solution of ammonium chloride (540 ml), 1 N aqueous solution of sodium hydroxide (540 ml) and 15% brine (540 ml) in order
  8. concentrationThe organic layer was concentrated under reduced pressure

Sources & evidence

ORD record
ord-e37ff06774aa4b348f17057aff353ebb
Source dataset
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09440922B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes