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Diethyl Oxalate → ethyl 5-(4-chlorobutyl)-1-ethyl-1H-pyrazole-3-carboxylate

HRID 1984351
ノート
印刷プレビュー

反応式

HRID 1984351 の反応式
CC(C)([O-])C.[Na+].[C:7]([O:14][CH2:15][CH3:16])(=[O:13])[C:8](OCC)=O.[Cl:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22](=O)[CH3:23].C([O-])(=O)C.[K+].C(O)(=O)C(O)=O.[CH2:36]([NH:38][NH2:39])[CH3:37]>C(O)C.C(O)(=O)C>[Cl:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22]1[N:38]([CH2:36][CH3:37])[N:39]=[C:8]([C:7]([O:14][CH2:15][CH3:16])=[O:13])[CH:23]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 5

HCID 7268Diethyl OxalateHCID 824686-Chlorohexan-2-oneHCID 96181Hydrazine, ethyl-, ethanedioate (1:1)HCID 517044Potassium AcetateHCID 23676156Sodium t-butoxide

生成物 1

HCID 66958590ethyl 5-(4-chlorobutyl)-1-ethyl-1H-pyrazole-3-carboxylate

試薬・触媒・溶媒 2

HCID 176
Acetic Acid
溶媒
HCID 702Ethanol溶媒2 回

実験手順

Under a nitrogen atmosphere, a mixture sodium tert-butoxide (39.0 g, 0.406 mol) and ethanol (135 mL) was stirred for 30 minutes; most of the solid was dissolved. A solution of diethyl oxalate (25.6 mL, 0.189 mol) and 6-chloro-2-hexanone (25.6 mL, 0.189 mol) in ethanol (20 mL) was added over a period of 20 minutes. The reaction was stirred at ambient temperature for one hour, and potassium acetate (28.0 g, 283 mmol) and acetic acid (95 mL of 2 M) were sequentially added. The reaction was cooled to 0° C., and ethylhydrazine oxalate (31.0 g, 208 mmol) was added in one portion. The reaction was allowed to warm to ambient temperature, stirred for two hours, and then concentrated under reduced pressure. Water was added, and the resulting solution was adjusted to pH 11 with the addition of 2 M aqueous sodium carbonate. The mixture was extracted with chloroform; the combined extracts were dried over sodium sulfate, filtered, and concentrated under reduced pressure to provide ethyl 5-(4-chlorobutyl)-1-ethyl-1H-pyrazole-3-carboxylate as a yellow oil that was used without purification.

後処理

  1. dissolutionmost of the solid was dissolved
  2. temperatureThe reaction was cooled to 0° C.
  3. temperatureto warm to ambient temperature
  4. stirringstirred for two hours
  5. concentrationconcentrated under reduced pressure
  6. additionWater was added
  7. additionthe resulting solution was adjusted to pH 11 with the addition of 2 M aqueous sodium carbonate
  8. extractionThe mixture was extracted with chloroform
  9. dry with materialthe combined extracts were dried over sodium sulfate
  10. filtrationfiltered
  11. concentrationconcentrated under reduced pressure

出典と根拠

ORDレコード
ord-611b1d4ddc9348e9926fa0cba8027a6e
出典データセット
uspto-grants-2009_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07544697B2

反応ノート

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