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Hydrochloric Acid → (5R)-3-{4-[(3-chloro-5-fluorophenyl)oxy]phenyl}-5-methyl-2,4-imidazolidinedione

HRID 1023593
ノート
印刷プレビュー

反応式

HRID 1023593 の反応式
ClC(Cl)(O[C:5](=[O:11])OC(Cl)(Cl)Cl)Cl.[Cl:13][C:14]1[CH:15]=[C:16]([O:21][C:22]2[CH:28]=[CH:27][C:25]([NH2:26])=[CH:24][CH:23]=2)[CH:17]=[C:18]([F:20])[CH:19]=1.[NH2:29][C@@H:30]([C:32](O)=[O:33])[CH3:31].Cl>C1(C)C=CC=CC=1.CN(C)C=O.O.C(N(CC)CC)C>[Cl:13][C:14]1[CH:15]=[C:16]([O:21][C:22]2[CH:28]=[CH:27][C:25]([N:26]3[C:32](=[O:33])[C@@H:30]([CH3:31])[NH:29][C:5]3=[O:11])=[CH:24][CH:23]=2)[CH:17]=[C:18]([F:20])[CH:19]=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

9

反応物 4

HCID 313Hydrochloric Acid2 回HCID 71080D-AlanineHCID 94429TriphosgeneHCID 672366794-[(3-Chloro-5-fluorophenyl)oxy]aniline2 回

生成物 1

HCID 53241609(5R)-3-{4-[(3-chloro-5-fluorophenyl)oxy]phenyl}-5-methyl-2,4-imidazolidinedione収率 11.8%

試薬・触媒・溶媒 4

HCID 962
Water
溶媒
HCID 1140Toluene溶媒2 回
HCID 6228Dimethylformamide溶媒
HCID 8471Triethylamine溶媒

反応条件

温度
100 °C

実験手順

To triphosgene (0.052 g, 0.177 mmol) was added a solution of 4-[(3-chloro-5-fluorophenyl)oxy]aniline (Intermediate 6, 0.12 g) in toluene (1 mL) and triethylamine (0.16 g) with shaking. A thick slurry immediately formed and additional toluene (1 mL) was added. The mixture was stirred for 3 hours at room temperature and then D-alanine (0.067 g, 0.757 mmol) in N,N-dimethylformamide (2 mL) and water (ca. 2 mL) (barely dissolved) was rapidly added via pipette. A two-layer system formed that was vigorously stirred for 2 hours and kept overnight at room temperature. Volatiles were evaporated, hydrochloric acid (2 mL, 24.35 mmol) added and the heterogeneous mixture heated at 100° C. for 2 hours, then allowed to cool to room temperature. After cooling to room temperature the aqueous HCl was pipetted off and the residue dried under vacuum. The residue was purified by silica gel chromatography (Biotage instrument, 10 g column) eluting with 0-100% EtOAc/cHex to give the title compound as colourless solid (7 mg).

後処理

  1. customA thick slurry immediately formed
  2. stirringThe mixture was stirred for 3 hours at room temperature
  3. additionwas rapidly added via pipette
  4. customA two-layer system formed
  5. stirringthat was vigorously stirred for 2 hours
  6. customVolatiles were evaporated
  7. temperatureto cool to room temperature
  8. customthe residue dried under vacuum
  9. customThe residue was purified by silica gel chromatography (Biotage instrument, 10 g column)
  10. washeluting with 0-100% EtOAc/cHex

出典と根拠

ORDレコード
ord-8f159bd6faa74bb7ad01744a0703a865
出典データセット
uspto-grants-2014_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08722695B2

反応ノート

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