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Acetic Acid → 2-(4-Methyl-benzyl)-5-(2-nitro-ethyl)-thiophene

HRID 78064
Notes
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Reaction equation

HRID 78064 reaction equation
CS(C)=O.[CH3:5][C:6]1[CH:22]=[CH:21][C:9]([CH2:10][C:11]2[S:12][C:13](/[CH:16]=[CH:17]/[N+:18]([O-:20])=[O:19])=[CH:14][CH:15]=2)=[CH:8][CH:7]=1.C(O)(=O)C.[BH4-].[Na+]>O>[CH3:5][C:6]1[CH:7]=[CH:8][C:9]([CH2:10][C:11]2[S:12][C:13]([CH2:16][CH2:17][N+:18]([O-:20])=[O:19])=[CH:14][CH:15]=2)=[CH:21][CH:22]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 4311764Sodium borohydrideHCID 592553182-(4-Methyl-benzyl)-5-((E)-2-nitro-vinyl)-thiophene

Product 1

HCID 592554602-(4-Methyl-benzyl)-5-(2-nitro-ethyl)-thiopheneYield 43.4%

Reagents, catalysts & solvents 1

HCID 962
Water
Solvent

Procedure

To a dimethyl sulfoxide (20.0 mL) solution of 2-(4-methyl-benzyl)-5-((E)-2-nitro-vinyl)-thiophene (1.20 g, 4.63 mmol) described in Manufacturing Example 92-1-3 and acetic acid (1.20 mL) was added sodium borohydride (280 mg, 7.41 mmol) at room temperature while cooling appropriately under nitrogen atmosphere, which was stirred for 20 minutes at room temperature. Water was then added dropwise at room temperature while cooling appropriately. The reaction mixture was extracted with ethyl acetate, and the organic layer was washed with water and saturated aqueous sodium chloride, dried over anhydrous magnesium sulfate, and filtered. The filtrate was concentrated under a reduced pressure, and the residue was crystallized with a tetrahydrofuran-ethyl acetate-heptane system and filtered to obtain the title compound (525 mg, 43.4%).

Workup

  1. temperaturewhile cooling appropriately under nitrogen atmosphere
  2. temperaturewhile cooling appropriately
  3. extractionThe reaction mixture was extracted with ethyl acetate
  4. washthe organic layer was washed with water and saturated aqueous sodium chloride
  5. dry with materialdried over anhydrous magnesium sulfate
  6. filtrationfiltered
  7. concentrationThe filtrate was concentrated under a reduced pressure
  8. customthe residue was crystallized with a tetrahydrofuran-ethyl acetate-heptane system
  9. filtrationfiltered

Sources & evidence

ORD record
ord-b83938ae7eb6481cbec41d83efef3be6
Source dataset
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08841327B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes