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N,N-Dimethylaniline → HCID 20823138, compound

HRID 585199
Notes
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Reaction equation

HRID 585199 reaction equation
[CH2:1]([O:3][C:4](=[O:25])[C:5]([CH3:24])([O:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([O:13]CC=C)=[CH:9][CH:8]=1)[CH3:2].CN(C)[C:28]1[CH:33]=CC=C[CH:29]=1>>[CH2:1]([O:3][C:4](=[O:25])[C:5]([CH3:24])([O:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([OH:13])=[C:9]([CH2:33][CH:28]=[CH2:29])[CH:8]=1)[CH3:2]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

3

Reactant 2

HCID 949N,N-DimethylanilineHCID 20823144HCID 20823144, compound

Product 1

HCID 20823138HCID 20823138, compoundYield 72%

Procedure

A solution of 3-(4-allyloxyphenyl)-2-methyl-2-phenoxy-propionic acid ethyl ester (475 mg, 1.39 mmol) in dimethylaniline (1.5 mL) was heated at reflux for 18 h. After cooling to ambient temperature, the reaction mixture was partitioned between EtOAc and 1N H2SO4. The organic phase was dried (MgSO4), filtered and concentrated. The residue was purified by column chromatography (100 mL SiO2, hexanes to 30% EtOAc/hexanes) to provide the desired product (343 mg, 72%) as a pale yellow oil: 1H NMR (400 MHz, CDCl3) δ 7.23 (t, J=8.4 Hz, 2H), 7.02-6.96 (m, 3H), 6.83 (d, J=8.8 Hz, 2H), 6.72 (d, J=7.6 Hz, 1H), 6.05 (m, 1H), 5.16-5.09 (m, 2H), 4.21 (q, J=6.8 Hz, 2H), 3.38 (d, J=6.4 Hz, 2H), 3.25 (A of AB, J=13.6 Hz, 1H), 3.10 (B of AB, J=13.6 Hz, 1H), 1.41 (s, 3H), 1.23 (t, J=6.8 Hz, 3H).

Workup

  • temperatureat reflux for 18 h
  • customthe reaction mixture was partitioned between EtOAc and 1N H2SO4
  • dry with materialThe organic phase was dried (MgSO4)
  • filtrationfiltered
  • concentrationconcentrated
  • customThe residue was purified by column chromatography (100 mL SiO2, hexanes to 30% EtOAc/hexanes)
  • Sources & evidence

    ORD record
    ord-bd8fcaeba5c247ec8003266f1a0e4a8c
    Source dataset
    uspto-grants-2005_08
    DOI
    10.6084/m9.figshare.5104873.v1
    Patent number
    US06930120B2

    Reaction notes

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    On this pageParticipantsProcedureWorkupSources & evidenceReaction notes