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Methyl iodide → [4-(4-Carbamimidoylphenyl)butyl]carbamic acid tert-butyl ester

HRID 217947
ノート
印刷プレビュー

反応式

HRID 217947 の反応式
[C:1]([O:5][C:6](=[O:21])[NH:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]1[CH:17]=[CH:16][C:15]([C:18](=S)[NH2:19])=[CH:14][CH:13]=1)([CH3:4])([CH3:3])[CH3:2].IC.C([O-])(=O)C.[NH4+:28]>C(Cl)Cl>[C:1]([O:5][C:6](=[O:21])[NH:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]1[CH:17]=[CH:16][C:15]([C:18](=[NH:28])[NH2:19])=[CH:14][CH:13]=1)([CH3:4])([CH3:3])[CH3:2]
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 6328Methyl iodideHCID 517165Ammonium AcetateHCID 86605989HCID 86605989、化合物

生成物 1

HCID 67366022[4-(4-Carbamimidoylphenyl)butyl]carbamic acid tert-butyl ester収率 29.4%

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒

実験手順

[4-(4-Thiocarbamoylphenyl)butyl]carbamic acid tert-butyl ester (58) (500 mg, 1.6 mmol) and iodomethane (4 mL, 64 mmol) were combined in methylene chloride (8 mL). The solution was stirred at reflux for 3 h, and allowed to stand overnight. The volatiles were removed by evaporation, and the residue was dried under vacuum for 3 h. The resulting crystalline solid was dissolved in ethanol (5 mL), and ammonium acetate (1.1 g, 14.4 mmol) was added. The resulting solution was stirred at reflux for 2 h, and the solvent was evaporated. The residue was taken up in a mixture of methanol and concentrated ammonium hydroxide (20 mL, 10:1), and the solvent was then evaporated. To this residue were added water (20 mL) and concentrated ammonium hydroxide (3 mL). The resulting mixture was stirred for 1 h, cooled in an ice bath, and suction filtered to collect a solid. The solid was dried under vacuum overnight to afford the product 59 (137 mg, 29%). 1H NMR (300 MHz, DMSO-d6) δ 1.37 (s, 9H), 1.38 (m, 2H), 1.55 (m, 2H), 2.64 (t, 2H), 2.93 (m, 2H), 6.80 (br s, 1H), 7.35 (d, 2H), 7.70 (d, 2H), 9.62 (br s, 3H).

後処理

  1. temperatureat reflux for 3 h
  2. customThe volatiles were removed by evaporation
  3. customthe residue was dried under vacuum for 3 h
  4. dissolutionThe resulting crystalline solid was dissolved in ethanol (5 mL)
  5. stirringThe resulting solution was stirred
  6. temperatureat reflux for 2 h
  7. customthe solvent was evaporated
  8. additionThe residue was taken up in a mixture of methanol and concentrated ammonium hydroxide (20 mL, 10:1)
  9. customthe solvent was then evaporated
  10. additionTo this residue were added water (20 mL) and concentrated ammonium hydroxide (3 mL)
  11. stirringThe resulting mixture was stirred for 1 h
  12. temperaturecooled in an ice bath
  13. filtrationsuction filtered
  14. customto collect a solid
  15. customThe solid was dried under vacuum overnight

出典と根拠

ORDレコード
ord-c8b24f1b0fa34d118f3aa1f8a4643540
出典データセット
uspto-grants-2012_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08198286B2

反応ノート

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