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Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)- → 4-Chloro-6-methoxypteridin-7(8H)-one

HRID 528013
ノート
印刷プレビュー

反応式

HRID 528013 の反応式
[Cl:1][C:2]1[N:7]=[CH:6][N:5]=[C:4]([NH2:8])[C:3]=1[NH2:9].[CH2:10]([O:12][C:13](OCC)(OCC)[C:14](OCC)=[O:15])C.C12(CS(O)(=O)=O)C(C)(C)C(CC1)CC2=O>C(#N)C>[Cl:1][C:2]1[C:3]2[N:9]=[C:13]([O:12][CH3:10])[C:14](=[O:15])[NH:8][C:4]=2[N:5]=[CH:6][N:7]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 780104,5-Pyrimidinediamine, 6-chloro-HCID 5090273Ethyl 2,2,2-triethoxyacetate

生成物 1

HCID 867117074-Chloro-6-methoxypteridin-7(8H)-one収率 76%

試薬・触媒・溶媒 1

HCID 6342Acetonitrile溶媒

実験手順

To a 50 mL round bottom flask at room temperature with a Teflon stir bar was added 6-chloropyrimidine-4,5-diamine (25 g, 172.9 mmol, 1 equiv), and anhydrous acetonitrile (300 mL). Ethyl 2,2,2-triethoxyacetate (36.87 g, 224.8 mmol, 36.9 mL, 1.3 equiv) followed by a catalytic quantity of 10-camphorsulfonic acid (3 g, 12.97 mmol, 0.075 equiv) were then added. The stirred reaction mixture was then heated to reflux for 16 hours. The reaction mixture was then cooled to room temperature and concentrated under reduced pressure to approximately 100 mL on a rotary evaporator and poured into 500 mL of vigorously stirring ice water. The resulting slurry was rapidly stirred for 20 minutes, and the resulting tan solid was then filtered through a medium porosity glass fritted funnel and was dried on the vacuum line to give the title compound as a brown solid (25.7 g, 76% yield). 1H NMR (400 MHz, DMSO-d6): δ 13.32 (broad s, 1H), 8.62 (s, 1H), 3.99 (s, 3H). MS (EI) for C7H5ClN4O2: 213 (MH+).

後処理

  1. additionwere then added
  2. customThe stirred reaction mixture
  3. temperaturewas then heated
  4. temperatureto reflux for 16 hours
  5. concentrationconcentrated under reduced pressure to approximately 100 mL on a rotary evaporator
  6. additionpoured into 500 mL of vigorously stirring ice water
  7. filtrationthe resulting tan solid was then filtered through a medium porosity glass fritted funnel
  8. customwas dried on the vacuum line

出典と根拠

ORDレコード
ord-beaea53c83c64d02bcd1888ce93da566
出典データセット
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09346807B2

反応ノート

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