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

HRID 1640653
Notes
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Reaction equation

HRID 1640653 reaction equation
[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
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

3

Reactant 1

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

Product 1

HCID 110628127-Chloro-1-benzothiopheneYield 67.5%

Reagents, catalysts & solvents 1

HCID 1140TolueneSolvent

Procedure

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+].

Workup

  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

Sources & evidence

ORD record
ord-ce66f0978fe7403c9b6474553d0ba286
Source dataset
uspto-grants-2012_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08114846B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes