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Nitromethane → HCID 86722944、化合物

HRID 1486148
ノート
印刷プレビュー

反応式

HRID 1486148 の反応式
C(N1CCN2CCN(CC(C)C)P1N(CC(C)C)CC2)C(C)C.[N+:24]([CH3:27])([O-:26])=[O:25].[CH2:28]([O:30][C:31](=[O:48])[CH:32]=[C:33]1[CH2:38][CH2:37][CH:36]([CH2:39][NH:40][C:41]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])=[O:42])[CH2:35][CH2:34]1)[CH3:29]>C1COCC1>[CH2:28]([O:30][C:31](=[O:48])[CH2:32][C:33]1([CH2:27][N+:24]([O-:26])=[O:25])[CH2:38][CH2:37][CH:36]([CH2:39][NH:40][C:41]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])=[O:42])[CH2:35][CH2:34]1)[CH3:29]
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 6375NitromethaneHCID 45712432,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo(3.3.3)undecaneHCID 86722941HCID 86722941、化合物

生成物 1

HCID 86722944HCID 86722944、化合物収率 96.6%

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒2 回

実験手順

A sealable reaction tube was charged with 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane (0.16 mL, 0.450 mmol) and THF (1.0 mL) under Argon. Nitromethane (0.23 mL, 4.24 mmol) was added and the reaction stirred at room temperature for 5 min then cooled to 0° C. for 15 min. [4-(tert-Butoxycarbonylamino-methyl)-cyclohexylidene]-acetic acid ethyl ester (0.261 g, 0.878 mmol) in THF (1.5 mL) was added slowly and the reaction stirred at RT for 15 min. The tube was sealed and the reaction heated at 70° C. for 17 hr. The reaction was cooled to room temperature, quenched with 0.5M HCl, and extracted with EtOAc (2×). The combined organic layers were washed with saturated NaHCO3 and brine, dried over Na2SO4, filtered, and concentrated to provide 0.304 g of crude product which was carried to the next step without purification. ESI-MS m/z 359 (MH)+.

後処理

  1. additionwas added slowly
  2. stirringthe reaction stirred at RT for 15 min
  3. customThe tube was sealed
  4. temperaturethe reaction heated at 70° C. for 17 hr
  5. temperatureThe reaction was cooled to room temperature
  6. customquenched with 0.5M HCl
  7. extractionextracted with EtOAc (2×)
  8. washThe combined organic layers were washed with saturated NaHCO3 and brine
  9. dry with materialdried over Na2SO4
  10. filtrationfiltered
  11. concentrationconcentrated

出典と根拠

ORDレコード
ord-ae8fbf8424184da8b4744cac269179c7
出典データセット
uspto-grants-2016_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09422314B2

反応ノート

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