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Acetamidine monohydrochloride → 2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

HRID 241552
ノート
印刷プレビュー

反応式

HRID 241552 の反応式
Cl.[C:2]([NH2:5])(=[NH:4])[CH3:3].[O-]CC.[Na+].CN([CH:13]=[C:14]1[CH2:18][N:17](C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[CH2:16][C:15]1=O)C>C(O)C>[CH3:3][C:2]1[N:4]=[CH:13][C:14]2[CH2:18][NH:17][CH2:16][C:15]=2[N:5]=1
参加物反応条件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 67170Acetamidine monohydrochlorideHCID 2723922Sodium ethoxideHCID 67065831HCID 67065831、化合物

生成物 1

HCID 108891022-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

試薬・触媒・溶媒 1

HCID 702Ethanol溶媒

反応条件

温度
85 °C

実験手順

A solution of acetamidine hydrochloride (12.8 g, 135 mmol) and sodium ethoxide (59 mL, 157.5 mmol) in anhydrous ethanol (400 mL) was stirred under nitrogen for 15 min, and 4-[(dimethylamino)methylene]-1-tritylpyrrolidin-3-one from Step B (17.2 g, 45 mmol) was added. The resulting mixture was heated at 85° C. for 3.5 h, quenched with a solution of 5% aqueous citric acid (50 mL), and evaporated to dryness. The residue was dissolved in ethyl acetate (500 mL) and washed with saturated aqueous sodium bicarbonate solution. There was some insoluble solid material between the aqueous and the organic layers, which was filtered thorough a Celite pad and washed with ethyl acetate. The combined aqueous layers were extracted twice with ethyl acetate. The organic layers were combined and washed with saturated aqueous sodium bicarbonate solution and brine, dried over anhydrous sodium sulfate, and concentrated. The residue obtained was purified by chromatography on a Biotage Horizon® system (silica gel, 10-75% ethyl acetate/dichloromethane gradient) to yield the N-trityl protected derivative of the desired product. A portion of this trityl protected product (1.9 g, 5.0 mmol) was dissolved in 4N methanolic hydrogen chloride (20 mL) and stirred at room temperature for 2.5 h. The solution was evaporated and the residue was purified by chromatography on a Biotage Horizon® system (silica, 4.5-14% gradient of 10% concentrated aqueous ammonium hydroxide in methanol/dichloromethane) to yield the desired product. LC-MS=136.0 (M+1).

後処理

  1. customquenched with a solution of 5% aqueous citric acid (50 mL)
  2. customevaporated to dryness
  3. dissolutionThe residue was dissolved in ethyl acetate (500 mL)
  4. washwashed with saturated aqueous sodium bicarbonate solution
  5. filtrationwas filtered thorough a Celite pad
  6. washwashed with ethyl acetate
  7. extractionThe combined aqueous layers were extracted twice with ethyl acetate
  8. washwashed with saturated aqueous sodium bicarbonate solution and brine
  9. dry with materialdried over anhydrous sodium sulfate
  10. concentrationconcentrated
  11. customThe residue obtained
  12. customwas purified by chromatography on a Biotage Horizon® system (silica gel, 10-75% ethyl acetate/dichloromethane gradient)

出典と根拠

ORDレコード
ord-e81f0a2c33f84b3ab24af8f79d914317
出典データセット
uspto-grants-2014_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08653059B2

反応ノート

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