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Water → 2-(2,6-Dichlorobenzamido)pent-4-enoic acid methyl ester

HRID 230327
ノート
印刷プレビュー

反応式

HRID 230327 の反応式
[Cl:1][C:2]1[CH:17]=[CH:16][CH:15]=[C:14]([Cl:18])[C:3]=1[C:4]([NH:6][CH:7]([CH2:11][CH:12]=[CH2:13])[C:8]([OH:10])=[O:9])=[O:5].S(Cl)(Cl)=O.O.[C:24](=O)([O-])O.[Na+]>CO>[CH3:24][O:9][C:8](=[O:10])[CH:7]([NH:6][C:4](=[O:5])[C:3]1[C:2]([Cl:1])=[CH:17][CH:16]=[CH:15][C:14]=1[Cl:18])[CH2:11][CH:12]=[CH2:13]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 962WaterHCID 24386Thionyl ChlorideHCID 516892Sodium BicarbonateHCID 669120242-(2,6-Dichlorobenzamido)pent-4-enoic acid

生成物 1

HCID 577625182-(2,6-Dichlorobenzamido)pent-4-enoic acid methyl ester

試薬・触媒・溶媒 1

HCID 887Methanol溶媒

実験手順

Allylglycine (10.11 g) was dissolved in a mixed solvent of 2N aqueous sodium hydroxide solution (176 ml) and dioxane (175 ml), and 2,6-dichlorobenzoyl chloride (15.10 ml) was added dropwise thereto, followed by stirring the resulting mixture at room temperature for 10 hours. After concentrating the reaction solution to remove dioxane, water (150 ml) was added thereto and the resulting solution was washed with ether. Aqueous layer was acidified by adding 3N hydrochloric acid in small portions thereto, and extracted 3 times with ethyl acetate. Organic layers were washed with saturated brine and dried over anhydrous sodium sulfate. After removing anhydrous sodium sulfate by filtration, the filtrate was concentrated. The residue was recrystallized from hexane/ethyl acetate mixed solvent to obtain 2-(2,6-dichlorobenzamido)pent-4-enoic acid (23.48 g). (2) Under an argon atmosphere, a solution of 2-(2,6-dichlorobenzamido)pent-4-enoic acid (23.48 g) in methanol (250 ml) was cooled to 0° C. Thionyl chloride (10.70 ml) was added dropwise to the solution while keeping the reaction temperature not higher than 110° C., and thereafter the resulting mixture was stirred at room temperature for 5.5 hours. Water was added to the reaction solution, and sodium hydrogen carbonate was added thereto in small portions to neutralize it. After concentrating the reaction solution to remove methanol, aqueous layer was extracted twice with ethyl acetate. Organic layers were washed 3 times with water and once with saturated brine, and dried over anhydrous sodium sulfate. After removing anhydrous sodium sulfate by filtration, the filtrate was concentrated. The residue was recrystallized from hexane/ethyl acetate mixed solvent to obtain 2-(2,6-dichlorobenzamido)pent-4-enoic acid methyl ester (21.70 g). NMR (H1, CDCl3): δ 2.55-2.61 (1H, m), 2.68-2.75 (1H, m), 3.72 (3H, s), 4.88 (1H, td, J=7.8, 5.4 Hz), 5.06-5.13 (2H, m), 5.64-5.74 (1H, m), 6.33 (1H, brd, J=7.1 Hz), 7.17-7.26 (3H, m)

後処理

  1. customhigher than 110° C.
  2. additionwas added
  3. concentrationAfter concentrating the reaction solution
  4. customto remove methanol, aqueous layer
  5. extractionwas extracted twice with ethyl acetate
  6. washOrganic layers were washed 3 times with water
  7. dry with materialonce with saturated brine, and dried over anhydrous sodium sulfate
  8. customAfter removing anhydrous sodium sulfate
  9. filtrationby filtration
  10. concentrationthe filtrate was concentrated
  11. customThe residue was recrystallized from hexane/ethyl acetate mixed solvent

出典と根拠

ORDレコード
ord-873f1a34fbf140cab6f9f6d145750021
出典データセット
uspto-grants-2009_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07566724B2

反応ノート

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