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

HRID 598217
ノート
印刷プレビュー

反応式

HRID 598217 の反応式
[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]
参加物実験手順後処理出典と根拠反応ノート

参加物

10

反応物 7

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 2723922Sodium ethoxideHCID 2736365Ethyl 3-AminoisonicotinateHCID 4684308Sodium GlycinateHCID 109209242-Ethylpropanedioyl dichloride

生成物 1

HCID 54721174n-[(4-Hydroxy-2-oxo-1,2-dihydro-1,7-naphthyridin-3-yl)carbonyl]glycine収率 30%

試薬・触媒・溶媒 2

HCID 962Water溶媒HCID 6344Dichloromethane溶媒

実験手順

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]+.

後処理

  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

出典と根拠

ORDレコード
ord-61741bdb304a4dd2b228fecefa72ff4f
出典データセット
uspto-grants-2011_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07897612B2

反応ノート

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