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Water → 3-Nitro-4-pyrrolidin-1-ylbenzoic acid

HRID 336231
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HRID 336231 반응식
F[C:2]1[CH:12]=[CH:11][C:5]([C:6]([O:8]CC)=[O:7])=[CH:4][C:3]=1[N+:13]([O-:15])=[O:14].[NH:16]1[CH2:20][CH2:19][CH2:18][CH2:17]1.[OH-].[Li+].O>CN(C=O)C.C1COCC1>[N+:13]([C:3]1[CH:4]=[C:5]([CH:11]=[CH:12][C:2]=1[N:16]1[CH2:20][CH2:19][CH2:18][CH2:17]1)[C:6]([OH:8])=[O:7])([O-:15])=[O:14]
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참가 물질

7

반응물 4

HCID 962WaterHCID 3939Lithium HydroxideHCID 31268PyrrolidineHCID 21277355Ethyl 4-fluoro-3-nitrobenzoate

생성물 1

HCID 36719303-Nitro-4-pyrrolidin-1-ylbenzoic acid수율 90%

시약·촉매·용매 2

HCID 6228Dimethylformamide용매
HCID 8028
Tetrahydrofuran
용매

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온도
60 °C

실험 절차

A mixture of ethyl 4-fluoro-3-nitrobenzoate (Chontech 01072; 500 mg; 2.35 mmol; 1 eq.) and pyrrolidine (Fluka 83240; 500.48 mg; 7.04 mmol; 3 eq.) in DMF (2 mL) was stirred at 60° C. for 4 hours. The reaction mixture was then partitioned between ethyl acetate and aq. NH4Cl. The organic layer was washed three times with aq. NH4Cl then brine, dried over magnesium sulfate and concentrated in vacuo to give a yellow oil. The latter was taken up in THF (5 mL) and lithium hydroxide (280.86 mg; 11.73 mmol; 5 eq.) then water (5 mL) were added. The reaction mixture was stirred at room temperature for 16 hours then the THF was evaporated and the residue was diluted with water. After acidification with AcOH, the formed precipitate was filtered and dried under high vacuum to afford the title compound (497 mg, 90%) as a yellow solid.

후처리

  1. customThe reaction mixture was then partitioned between ethyl acetate and aq. NH4Cl
  2. washThe organic layer was washed three times with aq. NH4Cl
  3. dry with materialbrine, dried over magnesium sulfate
  4. concentrationconcentrated in vacuo
  5. customto give a yellow oil
  6. stirringThe reaction mixture was stirred at room temperature for 16 hours
  7. customthe THF was evaporated
  8. additionthe residue was diluted with water
  9. filtrationAfter acidification with AcOH, the formed precipitate was filtered
  10. customdried under high vacuum

출처 및 근거

ORD 기록
ord-6e23f178f2c341a1bbfaf8a42dafbc49
출처 데이터셋
uspto-grants-2014_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08889668B2

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