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Water → ({[2,2-Dimethoxy-1-(nitromethyl)ethyl]thio}methyl)benzene

HRID 1960265
Notes
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Reaction equation

HRID 1960265 reaction equation
[CH3:1][O:2][CH:3]([O:9][CH3:10])/[CH:4]=[CH:5]/[N+:6]([O-:8])=[O:7].[CH2:11]([SH:18])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.N1CCCCC1.O>C1(C)C=CC=CC=1>[CH3:1][O:2][CH:3]([O:9][CH3:10])[CH:4]([S:18][CH2:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)[CH2:5][N+:6]([O-:8])=[O:7]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 962WaterHCID 7509Benzyl mercaptanHCID 8082PiperidineHCID 108772663,3-Dimethoxy-1-nitroprop-1-ene

Product 1

HCID 59135946({[2,2-Dimethoxy-1-(nitromethyl)ethyl]thio}methyl)benzeneYield 86%

Reagents, catalysts & solvents 1

HCID 1140
Toluene
Solvent

Procedure

A solution of (1E)-3,3-dimethoxy-1-nitroprop-1-ene (3.03 g, prepared according to Terahedron 2002, 58, 5773-5778), benzylmercaptan (2.54 ml) and piperidine (0.25 ml) in toluene (20 ml) was stirred at room temperature for 48 hr. Water was added to the reaction solution, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (ethyl acetate:hexane=0:100-20:80) to give the title compound (4.78 g, yield 86%) as a yellow oil.

Workup

  1. extractionthe mixture was extracted with ethyl acetate
  2. washThe extract was washed with saturated brine
  3. dry with materialdried over anhydrous magnesium sulfate
  4. concentrationconcentrated under reduced pressure
  5. customThe residue was purified by silica gel column chromatography (ethyl acetate:hexane=0:100-20:80)

Sources & evidence

ORD record
ord-cd7a088d00cf4ef48716bc9c96984103
Source dataset
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08410087B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes