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Hydrochloric Acid → alpha-[[(2,4,6-Trimethoxyphenyl)amino]carbonyl] benzene acetic acid ethyl ester

HRID 264122
ノート
印刷プレビュー

反応式

HRID 264122 の反応式
C(NC(C)C)(C)C.C([Li])CCC.[C:13]1([CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21])[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.[CH3:25][O:26][C:27]1[CH:32]=[C:31]([O:33][CH3:34])[CH:30]=[C:29]([O:35][CH3:36])[C:28]=1[N:37]=[C:38]=[O:39].Cl>C1COCC1>[CH2:23]([O:22][C:20](=[O:21])[CH:19]([C:38]([NH:37][C:28]1[C:29]([O:35][CH3:36])=[CH:30][C:31]([O:33][CH3:34])=[CH:32][C:27]=1[O:26][CH3:25])=[O:39])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)[CH3:24]
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

7

反応物 5

HCID 313Hydrochloric AcidHCID 7590Ethyl phenylacetateHCID 7912DiisopropylamineHCID 100818122,4,6-Trimethoxyphenyl isocyanateHCID 178418339Butyllithium

生成物 1

HCID 10690735alpha-[[(2,4,6-Trimethoxyphenyl)amino]carbonyl] benzene acetic acid ethyl ester

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒3 回

反応条件

温度
-78 °C

実験手順

To a stirred, room temperature solution of diisopropylamine (43.4 mL, 0.310 mol) in dry THF (1.2 L) was added a 2.5M solution (124 mL, 0.31 mol) of n-butyl lithium in hexanes in one portion, and the mixture was cooled to -78° C. To the solution was added under nitrogen a solution of phenylacetic acid, ethyl ester (50.8 g, 0.309 mol) in THF (500 mL) over 15 minutes. Stirred 2 minutes. To the mixture was added a solution of 2,4,6-trimethoxyphenyl isocyanate (64.9 g, 0.310 mol) in THF (500 mL) over 10 minutes. Stirred 1.5 hours. The reaction was quenched with 1M HCl (310 mL, 0.310 mol) and allowed to warm to room temperature. The mixture was rotoevaporated to remove THF and partitioned between water and chloroform. The organic layer was washed (1M HCl; saturated NaCl), dried (Na2SO4), and rotoevaporated. The residue was chromatographed on silica gel (1.4 kg, 230-400 mesh) using petroleum ether-ethyl acetate (1:1). Fractions containing product were rotoevaporated, and the residue crystallized from ethanol-ether to give a white solid; yield 46.9 g (41%); mp 109°-111° C.

後処理

  1. stirringStirred 1.5 hours
  2. temperatureto warm to room temperature
  3. customto remove THF
  4. custompartitioned between water and chloroform
  5. washThe organic layer was washed (1M HCl; saturated NaCl)
  6. dry with materialdried (Na2SO4)
  7. customThe residue was chromatographed on silica gel (1.4 kg, 230-400 mesh)
  8. additionFractions containing product
  9. customthe residue crystallized from ethanol-ether
  10. customto give a white solid

出典と根拠

ORDレコード
ord-e0ca615605db4035b7b1ccc6e439d2f9
出典データセット
uspto-grants-1997_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05646170

反応ノート

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