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Hydrochloric Acid → 2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one

HRID 1914625
ノート
印刷プレビュー

反応式

HRID 1914625 の反応式
[N:1]1[CH2:2][CH:3]=[CH:4][CH:5]=[CH:6][C:7]=1[NH2:8].Cl.C(=O)([O-])[O-].[K+].[K+].[N:16]1[CH:21]=[CH:20][C:19]([C:22](=O)[CH2:23][C:24](OCC)=[O:25])=[N:18][CH:17]=1>C(O)C>[N:16]1[CH:21]=[CH:20][C:19]([C:22]2[N:8]=[C:7]3[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][N:1]3[C:24](=[O:25])[CH:23]=2)=[N:18][CH:17]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 313Hydrochloric AcidHCID 11430Potassium CarbonateHCID 11961458Ethyl 3-oxo-3-(pyrimidin-4-yl)propanoateHCID 188006272H-azepin-7-amine

生成物 1

HCID 671776292-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one収率 28.7%

試薬・触媒・溶媒 1

HCID 702
Ethanol
溶媒

実験手順

To a suspension of 77.9 g (524.1 mmol) of 2H-azepin-7-amine, 3,4,5,6-tetrahydro, monohydrochloride (synthesis as described in WO96/14844 or in Journal of Medicinal Chemistry (1998), 41(9), 1361-1366) in 390 mL of ethanol was added 72.4 g (524.1 mmol) of potassium carbonate. The reaction mixture was stirred at room temperature for 10 min, 101.7 g (524.1 mmol) of ethyl 3-(4-pyrimidinyl)-3-oxopropionate was added and the resulting mixture was stirred under reflux for 16 h. The cooled solution was evaporated to remove solvent. The mixture was dissolved in dichloromethane, washed with a saturated aqueous solution of sodium chloride, dried over sodium sulfate and evaporated to dryness. The residue was filtrate through a pad of silica, rinsing with dichloromethane and then ethyl acetate. After evaporation, the resulting solid was triturated in diethyl ether, filtrated to afford 36.4 g (28%) of the desired compound as a white-brown powder.

後処理

  1. customsynthesis
  2. stirringthe resulting mixture was stirred
  3. temperatureunder reflux for 16 h
  4. customThe cooled solution was evaporated
  5. customto remove solvent
  6. dissolutionThe mixture was dissolved in dichloromethane
  7. washwashed with a saturated aqueous solution of sodium chloride
  8. dry with materialdried over sodium sulfate
  9. customevaporated to dryness
  10. washrinsing with dichloromethane
  11. customAfter evaporation
  12. customthe resulting solid was triturated in diethyl ether
  13. filtrationfiltrated

出典と根拠

ORDレコード
ord-d650c2a06cc34eaf83ca0465ee48d80e
出典データセット
uspto-grants-2013_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08614219B2

反応ノート

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