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Nitromethane → (+/-)-(3,3-Dimethyl-1-nitromethyl-cyclopentyl)-acetic Acid Ethyl Ester

HRID 1244830
Notes
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Reaction equation

HRID 1244830 reaction equation
[F-].C([N+](CCCC)(CCCC)CCCC)CCC.[CH2:19]([O:21][C:22](=[O:31])[CH:23]=[C:24]1[CH2:28][CH2:27][C:26]([CH3:30])([CH3:29])[CH2:25]1)[CH3:20].[N+:32]([CH3:35])([O-:34])=[O:33]>C1COCC1.C(OCC)(=O)C>[CH2:19]([O:21][C:22](=[O:31])[CH2:23][C:24]1([CH2:35][N+:32]([O-:34])=[O:33])[CH2:28][CH2:27][C:26]([CH3:30])([CH3:29])[CH2:25]1)[CH3:20]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 6375Nitromethane2×HCID 2724141Tetrabutylammonium Fluoride2×HCID 53703257(3,3-Dimethyl-cyclopentylidene)-acetic Acid Ethyl Ester

Product 1

HCID 54521414(+/-)-(3,3-Dimethyl-1-nitromethyl-cyclopentyl)-acetic Acid Ethyl EsterYield 41%

Reagents, catalysts & solvents 2

HCID 8028
Tetrahydrofuran
Solvent
3×
HCID 8857Ethyl AcetateSolvent

Conditions

Temperature
70 °C

Procedure

Tetrabutylammonium fluoride (5.75 mL of a 1 M solution in THF, 5.75 mmol) was added to a solution of the ester 2 (697 mg, 3.83 mmol) and nitromethane (467 mg, 7.66 mmol) in THF (20 mL) and the mixture heated to 70° C. After 19 hours, nitromethane (233 mg, 1.9 mmol) and tetrabutylammonium fluoride (1.9 mL of a 1 M solution in THF, 1.9 mmol) were added and reflux continued for 7 hours, whereupon the solution was cooled to room temperature, diluted with ethyl acetate (40 mL), and washed with 2N HCl (20 mL) then brine (20 mL). The organic phase was dried (MgSO4) and concentrated. The crude product was flash chromatographed (9:1 hexane/ethyl acetate) to give the nitro ester 3 (380 mg, 41%) as an oil.

Workup

  1. temperaturereflux
  2. waitcontinued for 7 hours, whereupon the solution
  3. temperaturewas cooled to room temperature
  4. washwashed with 2N HCl (20 mL)
  5. dry with materialThe organic phase was dried (MgSO4)
  6. concentrationconcentrated
  7. customchromatographed (9:1 hexane/ethyl acetate)

Sources & evidence

ORD record
ord-d90f782ec9f643d98a45173f07574a61
Source dataset
uspto-grants-2006_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07122678B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes