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Triethylamine → HCID 69728829, compound

HRID 2416534
Notes
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Reaction equation

HRID 2416534 reaction equation
[CH3:1][CH2:2][O:3][C:4]([CH:6](P(OCC)(OCC)=O)[F:7])=[O:5].[Mg+2].[Br-].[Br-].C(N(CC)CC)C.[N:26]1[CH:31]=[CH:30][CH:29]=[N:28][C:27]=1[C:32]1[CH:39]=[CH:38][C:35]([CH:36]=O)=[CH:34][CH:33]=1>C1COCC1>[CH2:2]([O:3][C:4](=[O:5])/[C:6](/[F:7])=[CH:36]/[C:35]1[CH:34]=[CH:33][C:32]([C:27]2[N:26]=[CH:31][CH:30]=[CH:29][N:28]=2)=[CH:39][CH:38]=1)[CH3:1]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 8471TriethylamineHCID 82241Magnesium BromideHCID 2734865Triethyl 2-fluoro-2-phosphonoacetateHCID 127037224-(Pyrimidin-2-yl)benzaldehyde

Product 1

HCID 69728829HCID 69728829, compoundYield 85.9%

Reagents, catalysts & solvents 1

HCID 8028
Tetrahydrofuran
Solvent
3×

Conditions

Temperature
0 °C

Procedure

Triethyl 2-fluoro-2-phosphonoacetate (1.55 mL, 7.64 mmol) was added to a suspension of MgBr2 (1.68 g, 9.12 mmol) in THF (20 mL). The resulting mixture was cooled to 0° C., triethylamine (1.20 mL, 8.61 mmol) was added, and stirring was continued for 1 h at 0° C. A solution of 4-(2-pyrimidinyl)-benzaldehyde (1.00 g, 5.43 mmol, prepared as described in WO 9828264) in THF (10 mL) was aded via cannula and an additional amount of THF (5 mL) was used to rinse the transfer flask and cannula. The resulting mixture was stirred for 3 h at 0° C., quenched with 10% aq. ammonium chloride (5 mL), and concentrated to a small volume. The concentrate was diluted with ethyl acetate (50 mL), washed with 10% aq. ammonium chloride, sat. aq. NaHCO3, and brine (50 mL each), dried (MgSO4), and concentrated. Purification by chromatography (SiO2, 3:1 hexane/ethyl acetate) provided 1.27 g of the title compound as a 3:1 mixture with its E isomer. Recrystallization from 2-propanol provided 0.76 g (51%) of the title compound containing ca. 1% of the E isomer. MS 273 (M+H)+.

Workup

  1. washto rinse the transfer flask and cannula
  2. stirringThe resulting mixture was stirred for 3 h at 0° C.
  3. customquenched with 10% aq. ammonium chloride (5 mL)
  4. concentrationconcentrated to a small volume
  5. additionThe concentrate was diluted with ethyl acetate (50 mL)
  6. washwashed with 10% aq. ammonium chloride, sat. aq. NaHCO3, and brine (50 mL each)
  7. dry with materialdried (MgSO4)
  8. concentrationconcentrated
  9. customPurification by chromatography (SiO2, 3:1 hexane/ethyl acetate)

Sources & evidence

ORD record
ord-2a3a9c6684774ab4844d241fdb15bf7b
Source dataset
uspto-grants-2004_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06825170B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes