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Diisopropylamine → Diethyl 1,1-difluoro-3-(2-(2-iodoethoxy)ethoxy)propylphosphonate

HRID 2204950
Notes
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Reaction equation

HRID 2204950 reaction equation
C(NC(C)C)(C)C.C([Li])CCC.[F:13][CH:14]([P:16](=[O:23])([O:20][CH2:21][CH3:22])[O:17][CH2:18][CH3:19])[F:15].[I:24][CH2:25][CH2:26][O:27][CH2:28][CH2:29][O:30][CH2:31][CH2:32]I>C1COCC1.CN(P(N(C)C)(N(C)C)=O)C>[F:13][C:14]([P:16](=[O:23])([O:17][CH2:18][CH3:19])[O:20][CH2:21][CH3:22])([F:15])[CH2:32][CH2:31][O:30][CH2:29][CH2:28][O:27][CH2:26][CH2:25][I:24]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 7912DiisopropylamineHCID 5934361,2-Bis(2-iodoethoxy)ethaneHCID 2758305Phosphonic acid, (difluoromethyl)-, diethyl esterHCID 178418339Butyllithium

Product 1

HCID 58166512Diethyl 1,1-difluoro-3-(2-(2-iodoethoxy)ethoxy)propylphosphonate

Reagents, catalysts & solvents 2

HCID 8028
Tetrahydrofuran
Solvent
HCID 12679HexamethylphosphoramideSolvent

Conditions

Temperature
0 °C

Procedure

To a solution of diisopropylamine (1.6 eq) in THF (1.28 M) was slowly added n-butyllithium (1.5 M in cyclohexane, 1.5 eq) dropwise at 0° C. The reaction mixture was stirred at 0° C. for 40 minutes. The mixture was then cooled down to −78° C., and diethyl difluoromethylphosphonate (1 eq) in HMPA (2.1 M) was slowly added to the solution. Then the mixture was stirred at −78° C. for 40 minutes and to the resulting solution was added a cooled solution of 1,2-bis(2-iodoethoxy)ethane (12.8 M in THF, 4 eq) rapidly. After 1.5 hours, the reaction was quenched by pouring into saturated NH4Cl solution. The aqueous phases were extracted with ethyl acetate three times. The combined organic phases were washed with brine, dried over anhydrous sodium sulfate and concentrated en vaccuo. The resulting crude was purified by flash chromatography on a COMBIFLASH® system (ISCO) using 10-100% EtOAc/Hex to give the product as a yellow oil.

Workup

  1. customdropwise at 0° C
  2. temperatureThe mixture was then cooled down to −78° C.
  3. stirringThen the mixture was stirred at −78° C. for 40 minutes and to the resulting solution
  4. waitAfter 1.5 hours
  5. customthe reaction was quenched
  6. additionby pouring into saturated NH4Cl solution
  7. extractionThe aqueous phases were extracted with ethyl acetate three times
  8. washThe combined organic phases were washed with brine
  9. dry with materialdried over anhydrous sodium sulfate
  10. concentrationconcentrated en vaccuo
  11. customThe resulting crude was purified by flash chromatography on a COMBIFLASH® system (ISCO)

Sources & evidence

ORD record
ord-14045507e610467794d3cb36aa10ab6f
Source dataset
uspto-grants-2016_06
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09365506B2

Reaction notes

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