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

HRID 1244830
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HRID 1244830 반응식
[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]
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참가 물질

6

반응물 3

HCID 6375Nitromethane2회HCID 2724141Tetrabutylammonium Fluoride2회HCID 53703257(3,3-Dimethyl-cyclopentylidene)-acetic Acid Ethyl Ester

생성물 1

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

시약·촉매·용매 2

HCID 8028Tetrahydrofuran용매3회
HCID 8857Ethyl Acetate용매

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온도
70 °C

실험 절차

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.

후처리

  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)

출처 및 근거

ORD 기록
ord-d90f782ec9f643d98a45173f07574a61
출처 데이터셋
uspto-grants-2006_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07122678B2

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