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Methylamine → Ethyl 4-hydroxy-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylate

HRID 422762
Notes
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Reaction equation

HRID 422762 reaction equation
[CH:1]([O:8][CH2:9][CH3:10])([O:5]CC)OCC.C(OC(=O)C)(=O)C.C([O:20][C:21](=O)[CH:22]([CH3:31])[C:23](=[O:30])[CH2:24][C:25](OCC)=O)C.[CH3:33][NH2:34]>C(OCC)C.O>[CH2:9]([O:8][C:1]([C:24]1[C:23]([OH:30])=[C:22]([CH3:31])[C:21](=[O:20])[N:34]([CH3:33])[CH:25]=1)=[O:5])[CH3:10]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 6329MethylamineHCID 7918Acetic AnhydrideHCID 31214Ethyl orthoformateHCID 10921903Diethyl 2-methyl-3-oxopentanedioate

Product 1

HCID 54697510Ethyl 4-hydroxy-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylateYield 100%

Reagents, catalysts & solvents 2

HCID 962
Water
Solvent
HCID 3283Diethyl EtherSolvent

Conditions

Temperature
135 °C

Procedure

Triethyl orthoformate (3.85 mL, 23.12 mmol) and acetic anhydride (4.37 mL, 46.25 mmol) were added to 2-methyl-3-oxo-pentanedioic acid diethyl ester (Caliskan et al Aust. J. Chem. 1999, 52 (11), 1013-1020) (5.0 g, 23.1 mmol) and the reaction mixture heated to 135° C. After 1 hour, the reaction mixture was cooled to room temperature and concentrated under reduced pressure. The residue was cooled to 0° C. and methylamine (40% in water, 5.0 mL, 57.81 mmol) was added with stirring. Water (20 mL) was added and the reaction mixture stirred for 16 hours. The reaction mixture was extracted with ethyl acetate and the aqueous layer acidified to pH 2 with 10% aqueous HCl. The acidified aqueous layer was extracted with ethyl acetate. The combined organic extracts were dried (MgSO4) and concentrated to give a solid. Trituration with diethyl ether yielded 4.88 g (55%) clean desired product. 4-Hydroxy-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid ethyl ester was carried forward as described in Example 1, Steps B-D. MS APCI (−) m/z 353, 355 (M−, Br pattern) detected; 1H NMR (400 MHz, CD3OD) δ 8.49 (s, 1H), 7.36 (dd, 1H), 7.24 (dd, 1H), 6.71 (m, 1H), 3.60 (s, 3H), 1.68 (s, 3H).

Workup

  1. temperaturethe reaction mixture was cooled to room temperature
  2. concentrationconcentrated under reduced pressure
  3. temperatureThe residue was cooled to 0° C.
  4. stirringthe reaction mixture stirred for 16 hours
  5. extractionThe reaction mixture was extracted with ethyl acetate
  6. extractionThe acidified aqueous layer was extracted with ethyl acetate
  7. dry with materialThe combined organic extracts were dried (MgSO4)
  8. concentrationconcentrated
  9. customto give a solid

Sources & evidence

ORD record
ord-8e2bf2e211ee417e993d186e1aea1ad2
Source dataset
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08101639B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes