Hydrochloric Acid → n-[(4-Hydroxy-2-oxo-1,2-dihydro-1,7-naphthyridin-3-yl)carbonyl]glycine

HRID 598217

Reaction equation

HRID 598217 reaction equation
[NH2:1][C:2]1[CH:12]=[N:11][CH:10]=[CH:9][C:3]=1[C:4]([O:6]CC)=O.C(N(CC)CC)C.C([CH:22]([C:26](Cl)=[O:27])[C:23](Cl)=[O:24])C.[O-]CC.[Na+].[Na+].[NH2:34][CH2:35][C:36]([O-:38])=[O:37].N12CCCN=C1CCCCC2.Cl>C(Cl)Cl.O>[OH:6][C:4]1[C:3]2[C:2](=[CH:12][N:11]=[CH:10][CH:9]=2)[NH:1][C:26](=[O:27])[C:22]=1[C:23]([NH:34][CH2:35][C:36]([OH:38])=[O:37])=[O:24]

Participants

10

Procedure

A solution of ethyl 3-aminoisonicotinate (0.071 g, 0.43 mmol) in methylene chloride (2.0 mL) was treated with triethylamine (1.00 mL, 7.17 mmol) followed by ethyl malonyl chloride (0.060 mL, 0.47 mmol). The mixture was stirred overnight at ambient temperature, followed by concentration in vacuo. The residue was dissolved in ethanol (2.0 mL), treated with sodium ethoxide (0.158 mL, 0.43 mmol, 21% solution in ethanol) at ambient temperature, and stirred overnight. The solution was concentrated in vacuo, and the resulting residue was dissolved in ethanol (2.0 mL) and treated with glycine sodium salt (0.030 g, 0.43 mmol) and 1,8-diazabicyclo[5.4.0]undec-7-ene (0.060 mL, 0.43 mmol) and heated to 180° C. for 30 min. in a Biotage Initiator microwave synthesizer. The reaction was diluted with water, acidified with 1 N aqueous hydrochloric acid, and the resulting precipitate was filtered, washed with water, and dried in vacuo to afford the title compound as a light brown solid (0.034 g, 30%). 1H NMR (400 MHz, DMSO-d6 δ ppm 12.4 (s, 2H), 10.4 (s, 2H), 8.88 (s, 1H), 7.89 (s, 1H), 4.15 (d, J=5.6 Hz, 2H). MS(ES+) m/e 264 [M+H]+.

Workup

  1. concentrationfollowed by concentration in vacuo
  2. dissolutionThe residue was dissolved in ethanol (2.0 mL)
  3. stirringstirred overnight
  4. concentrationThe solution was concentrated in vacuo
  5. dissolutionthe resulting residue was dissolved in ethanol (2.0 mL)
  6. temperatureheated to 180° C. for 30 min. in a Biotage Initiator microwave synthesizer
  7. filtrationthe resulting precipitate was filtered
  8. washwashed with water
  9. customdried in vacuo

Sources & evidence

ORD record
ord-61741bdb304a4dd2b228fecefa72ff4f
Source dataset
uspto-grants-2011_03
Patent number
US07897612B2

Linked notes

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