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Sodium Fluoride → HCID 58046435, compound

HRID 2046395
Notes
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Reaction equation

HRID 2046395 reaction equation
[C:1]1([C@H:7]([NH2:9])[CH3:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C[Al](C)C.[F:14][C:15]1([F:22])[CH2:21][CH2:20][CH2:19][CH:18]2[CH:16]1[O:17]2.[F-].[Na+]>ClCCl>[F:14][C:15]1([F:22])[CH2:21][CH2:20][CH2:19][C@@H:18]([NH:9][C@@H:7]([C:1]2[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=2)[CH3:8])[C@@H:16]1[OH:17]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 5235Sodium FluorideHCID 6431891-Phenethylamine, (+)-HCID 16682925TrimethylaluminumHCID 534020142,2-Difluoro-7-oxabicyclo[4.1.0]heptane

Product 1

HCID 58046435HCID 58046435, compound

Reagents, catalysts & solvents 1

HCID 6344
Dichloromethane
Solvent
2×

Conditions

Temperature
0 °C

Procedure

A solution of (1R)-1-phenylethanamine (72 mL, 0.57 mol) in dichloromethane (200 mL) was cooled to 0° C. and treated with trimethylaluminum (260 mL, 0.52 mol) and the resulting solution was stirred for 1 hour at 0° C. To this solution was added a solution of 2,2-difluoro-7-oxabicyclo[4.1.0]heptane (66 g, 0.49 mol) in dichloromethane (200 mL) and the resulting mixture stirred at 0° C. for 3 hours. The reaction was then warmed to ambient temperature for 16 hours. The reaction was cooled to 0° C., treated with 103 g of sodium fluoride and then quenched with water (90 mL, slow addition). The reaction was warmed to ambient temperature, the solids filtered and the solution evaporated in vacuo. Purification by flash chromatography afforded the title compound as a white solid: 1H NMR (500 MHz, CDCl3) δ 7.32 (s, 5H); 3.90 (q, 1H); 3.39 (ddd, 1H); 2.70 (m, 1H); 2.11 (m, 1H); 1.80 (m, 1H); 1.62 (m, 2H); 1.43 (m, 1H); 1.36 (d, 3H); 0.96 (m, 1H).

Workup

  1. stirringthe resulting mixture stirred at 0° C. for 3 hours
  2. temperatureThe reaction was then warmed to ambient temperature for 16 hours
  3. temperatureThe reaction was cooled to 0° C.
  4. customquenched with water (90 mL, slow addition)
  5. temperatureThe reaction was warmed to ambient temperature
  6. filtrationthe solids filtered
  7. customthe solution evaporated in vacuo
  8. customPurification by flash chromatography

Sources & evidence

ORD record
ord-b43f6acbf4e548e9a14a6e1f7e7cbd69
Source dataset
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08592425B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes