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(2-Chlorophenyl)(2,2-diethoxyethyl)sulfane → 7-Chloro-1-benzothiophene

HRID 643450
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HRID 643450 반응식
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8][CH2:9][CH:10](OCC)OCC>C1(C)C=CC=CC=1>[Cl:1][C:2]1[C:3]2[S:8][CH:9]=[CH:10][C:4]=2[CH:5]=[CH:6][CH:7]=1
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참가 물질

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반응물 1

HCID 59133109(2-Chlorophenyl)(2,2-diethoxyethyl)sulfane

생성물 1

HCID 110628127-Chloro-1-benzothiophene수율 67.5%

시약·촉매·용매 1

HCID 1140Toluene용매

실험 절차

To a solution of 1-chloro-2-(2,2-diethoxyethylsulfanyl)benzene (3.95 g, 15.14 mmol) in toluene (40 mL) was added polyphosphoric acid (15 g, 137.5 mmol). The mixture was heated at reflux for 4 h. then was poured in to ice water, stirred for 30 min and extracted with toluene. The combined toluene extracts were washed with aqueous sodium bicarbonate followed by brine, dried over anhydrous sodium sulfate and evaporated under reduced pressure to yield the crude product. This material was purified by chromatography over silica gel eluting with hexane to afford pure 7-chlorobenzo[b]thiophene (1.72 g, 67.5%). 1H NMR (400 MHz, CDCl3) δ=7.13-7.30 (m, 3H), 7.38 (d, J=5.31 Hz, 1H), 7.62 (dd, J=7.33, 1.52 Hz, 1H); MS (ES+): m/z 169.06 [MH+].

후처리

  1. temperatureThe mixture was heated
  2. temperatureat reflux for 4 h.
  3. extractionextracted with toluene
  4. washThe combined toluene extracts were washed with aqueous sodium bicarbonate
  5. dry with materialdried over anhydrous sodium sulfate
  6. customevaporated under reduced pressure
  7. customto yield the crude product
  8. customThis material was purified by chromatography over silica gel eluting with hexane

출처 및 근거

ORD 기록
ord-2cfe3d2c07b943048d23791e92fe92e0
출처 데이터셋
uspto-grants-2010_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07700594B2

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