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1-Phenethylamine, (-)- → (R)-3-hydroxymethylheptanoic acid, (S)-1-phenylethylamide

HRID 2182489
Notes
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Reaction equation

HRID 2182489 reaction equation
C(C1COC(=O)C1)CCC.OC1C=CC=CN=1.C1([C@@H](N)C)C=CC=CC=1.[C:27]1([C@@H:33]([NH:35][C:36](=[O:45])[CH2:37][C@@H:38]([CH2:43][OH:44])[CH2:39][CH2:40][CH2:41][CH3:42])[CH3:34])[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1>C1(C)C=CC=CC=1.C(OCC)(=O)C>[C:27]1([C@@H:33]([NH:35][C:36](=[O:45])[CH2:37][C@H:38]([CH2:43][OH:44])[CH2:39][CH2:40][CH2:41][CH3:42])[CH3:34])[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 758181-Phenethylamine, (-)-HCID 127357064-Butyloxolan-2-oneHCID 91529095(s)-3-Hydroxymethylheptanoic acid, (s)-1-phenyl-ethylamideHCID 178516071HCID 178516071, compound

Product 1

HCID 86592431(R)-3-hydroxymethylheptanoic acid, (S)-1-phenylethylamideYield 92.9%

Reagents, catalysts & solvents 2

HCID 1140TolueneSolvent
HCID 8857Ethyl AcetateSolvent

Procedure

A mixture of (+/−)-4-butyldihydrofuran-2-one (3.9 g, 27.4 mmol), 2-hydroxypyridine (3.1 g, 32.9 mmol) and (S)-1-phenylethyl amine (7.8 mL, 60.3 mmol) in dry toluene (50 mL) was heated to reflux overnight. The reaction mixture was cooled to room temperature and diluted with ethyl acetate (100 mL), washed with 1 N HCl (2×50 mL) and brine (50 mL), dried (Na2SO4), and concentrated. The residue was purified by flash column chromatography (silica gel, 8:2 EtOAc/hexanes) to afford two compounds as white solids. The first eluted fraction was (S)-3-hydroxymethylheptanoic acid, (S)-1-phenyl-ethylamide (2.8 g, 39%) which is used in Example 3. 1H NMR (CDCl3) δ 7.33 (m, 5H), 6.07 (bs, 1H), 5.11 (q, 1H), 3.63 (m, 1H), 3.48 (m, 1H), 3.29 (bs, 1H), 2.29 (m, 2H), 1.95 (m, 1H), 1.50 (d, 2H), 1.28 (m, 6H), 0.88 (t, 3H). MS(ES) m/e 264 [M+H]+. The second eluted fraction was the title compound (2.6 g, 36%). 1H NMR (CDCl3) δ 7.29 (m, 5H), 6.34 (bs, 1H), 5.09 (q, 1H), 3.64 (m, 1H), 3.57 (bs, 1H), 3.48 (m, 1H), 2.28 (m, 2H), 1.93 (m, 1H), 1.48 (d, 2H), 1.28 (m, 6H), 0.88 (t, 3H). MS(ES) m/e 264 [M+H]+.

Workup

  1. temperaturewas heated
  2. temperatureto reflux overnight
  3. washwashed with 1 N HCl (2×50 mL) and brine (50 mL)
  4. dry with materialdried (Na2SO4)
  5. concentrationconcentrated
  6. customThe residue was purified by flash column chromatography (silica gel, 8:2 EtOAc/hexanes)
  7. customto afford two compounds as white solids

Sources & evidence

ORD record
ord-926c4ed2580c413fa9b3dd0ef0c64052
Source dataset
uspto-grants-2005_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06897233B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes