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4-Toluenesulfonyl chloride → 3-(Methylthio)propyl 4-methylbenzenesulfonate

HRID 453422
Notes
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Reaction equation

HRID 453422 reaction equation
[CH3:1][S:2][CH2:3][CH2:4][CH2:5][OH:6].C(N(CC)CC)C.CN(C)CCCCCCN(C)C.[C:26]1([CH3:36])[CH:31]=[CH:30][C:29]([S:32](Cl)(=[O:34])=[O:33])=[CH:28][CH:27]=1>C1(C)C=CC=CC=1.O>[CH3:36][C:26]1[CH:31]=[CH:30][C:29]([S:32]([O:6][CH2:5][CH2:4][CH2:3][S:2][CH3:1])(=[O:34])=[O:33])=[CH:28][CH:27]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 73974-Toluenesulfonyl chlorideHCID 8097TetramethylhexamethylenediamineHCID 8471TriethylamineHCID 104483-(Methylthio)-1-propanol

Product 1

HCID 153109983-(Methylthio)propyl 4-methylbenzenesulfonateYield 94%

Reagents, catalysts & solvents 2

HCID 962
Water
Solvent
HCID 1140TolueneSolvent2×

Procedure

A solution of 3-(methylthio)-1-propanol (5.30 g, 50.0 mmol), triethylamine (10.5 mL, 75.0 mmol) and N,N,N′,N′-tetramethyl-1,6-hexanediamine (0.861 g, 5.00 mmol) in toluene (50 mL) was ice-cooled, and a solution of p-toluenesulfonyl chloride (14.3 g, 75.0 mmol) in toluene (50 mL) was added dropwise under nitrogen atmosphere. After completion of the dropwise addition, the mixture was stirred for 3 hr, during which the mixture was allowed to warm to room temperature. Water was added to the reaction mixture, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (ethyl acetate:hexane=10:90-40:60) to give the title compound (12.2 g, yield 94%) as a colorless oil.

Workup

  1. temperaturecooled
  2. additionAfter completion of the dropwise addition
  3. extractionthe mixture was extracted with ethyl acetate
  4. washThe extract was washed with saturated brine
  5. dry with materialdried over anhydrous sodium sulfate
  6. concentrationconcentrated under reduced pressure
  7. customThe residue was purified by silica gel column chromatography (ethyl acetate:hexane=10:90-40:60)

Sources & evidence

ORD record
ord-a1cd36ecda794176a7912bc17df2a116
Source dataset
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08492430B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes