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Lithium hydroxide, monohydrate → 4-Chlorobenzo(b)thiophene-2-carboxylic Acid

HRID 1773820
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HRID 1773820 반응식
[Cl:1][C:2]1[C:10]2[CH:9]=[C:8]([C:11]([O:13]C)=[O:12])[S:7][C:6]=2[CH:5]=[CH:4][CH:3]=1.O[Li].O>CO.O>[Cl:1][C:2]1[C:10]2[CH:9]=[C:8]([C:11]([OH:13])=[O:12])[S:7][C:6]=2[CH:5]=[CH:4][CH:3]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 168937Lithium hydroxide, monohydrateHCID 22473622Methyl 4-chloro-1-benzothiophene-2-carboxylate

생성물 1

HCID 38545164-Chlorobenzo(b)thiophene-2-carboxylic Acid수율 100%

시약·촉매·용매 2

HCID 887Methanol용매HCID 962Water용매

실험 절차

Stir a mixture of methyl 4-chlorobenzo[b]thiophene-2-carboxylate (1.0 g, 4.44 mmol) and LiOH—H2O (0.56 g, 13.3 mmol) in MeOH (30 mL) and water (10 mL) at room temperature overnight. Concentrate the reaction mixture under vacuum and then dilute the residue with ice water (20 mL). Acidify the aqueous mixture with conc. HCl solution to pH=1. Extract the resultant mixture with EtOAc (15 mL×3). The combined organic layers are washed with brine, dried over anhydrous Na2SO4 and evaporate under vacuum to afford 4-chlorobenzo[b]thiophene-2-carboxylic acid as a white solid (0.94 g, 100%). 1H NMR (400 MHz, CDCl3) δ 8.10-8.02 (m, 2H), 7.61-7.51 (m, 2H)

후처리

  1. concentrationConcentrate the reaction mixture under vacuum
  2. additiondilute the residue with ice water (20 mL)
  3. extractionExtract the resultant mixture with EtOAc (15 mL×3)
  4. washThe combined organic layers are washed with brine
  5. dry with materialdried over anhydrous Na2SO4
  6. customevaporate under vacuum

출처 및 근거

ORD 기록
ord-e2773bfd9527469f80df8470bf8d750b
출처 데이터셋
uspto-grants-2016_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09255111B2

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