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Triethyl phosphonoacetate → HCID 86672773, compound

HRID 1754995
Notes
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Reaction equation

HRID 1754995 reaction equation
N12CCCN=C1CCCCC2.[CH2:12]([O:14][C:15](=[O:25])[CH2:16]P(OCC)(OCC)=O)[CH3:13].[Cl-].[Li+].[F:28][C:29]([F:39])([F:38])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH:36]=O>C(#N)C.C(OC)(C)(C)C>[CH2:12]([O:14][C:15](=[O:25])/[CH:16]=[CH:36]/[CH2:35][CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][C:29]([F:28])([F:38])[F:39])[CH3:13]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 13345Triethyl phosphonoacetateHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 433294Lithium ChlorideHCID 53689240HCID 53689240, compound

Product 1

HCID 86672773HCID 86672773, compound

Reagents, catalysts & solvents 2

HCID 6342Acetonitrile
Solvent
2×
HCID 15413tert-Butyl methyl etherSolvent

Conditions

Temperature
0 °C

Procedure

1,8-Diazabicyclo[5.4.0]undec-7-ene (436 μL, 2.92 mmol) was added to a solution of (diethoxy-phosphoryl)-acetic acid ethyl ester (633 μL, 2.43 mmol) and lithium chloride (144 mg, 3.41 mmol) in acetonitrile (20.0 mL) at 0° C., and the mixture was stirred at 0° C. for 10 minutes. A solution of 8,8,8-trifluoro-octanal (2.43 mmol) in acetonitrile (4.3 mL) was added dropwise to the reaction solution at 0° C., and the mixture was stirred for 10 minutes. Thereafter, the reaction mixture was stirred at room temperature for one hour and diluted with methyl tert-butyl ether (200 mL). The organic layer was sequentially washed with a saturated aqueous ammonium chloride solution (30 mL), H2O (30 mL) and saturated brine (30 mL), dried over sodium sulfate and concentrated under reduced pressure. The resulting residue was purified by silica gel column chromatography (hexane-ethyl acetate) to give (E)-10,10,10-trifluoro-dec-2-enoic acid ethyl ester as a colorless oily substance (426.6 mg, 70%).

Workup

  1. stirringthe mixture was stirred for 10 minutes
  2. stirringThereafter, the reaction mixture was stirred at room temperature for one hour
  3. washThe organic layer was sequentially washed with a saturated aqueous ammonium chloride solution (30 mL), H2O (30 mL) and saturated brine (30 mL)
  4. dry with materialdried over sodium sulfate
  5. concentrationconcentrated under reduced pressure
  6. customThe resulting residue was purified by silica gel column chromatography (hexane-ethyl acetate)

Sources & evidence

ORD record
ord-fd3788fed58743c587637d23b01399c9
Source dataset
uspto-grants-2015_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09169254B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes