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Triethylamine → 4-(Hydroxyimino-methyl)-2-trifluoromethyl-benzoic acid methyl ester

HRID 467937
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반응식

HRID 467937 반응식
[CH3:1][O:2][C:3](=[O:16])[C:4]1[CH:9]=[CH:8][C:7]([CH:10]=O)=[CH:6][C:5]=1[C:12]([F:15])([F:14])[F:13].Cl.[NH2:18][OH:19].C(N(CC)CC)C>CO>[CH3:1][O:2][C:3](=[O:16])[C:4]1[CH:9]=[CH:8][C:7]([CH:10]=[N:18][OH:19])=[CH:6][C:5]=1[C:12]([F:15])([F:14])[F:13]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 8471TriethylamineHCID 443297Hydroxyamine hydrochloride2회HCID 57443312Methyl 4-formyl-2-(trifluoromethyl)benzoate

생성물 1

HCID 723270974-(Hydroxyimino-methyl)-2-trifluoromethyl-benzoic acid methyl ester수율 61.3%

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

To a suspension of 4-formyl-2-trifluoromethyl-benzoic acid methyl ester (Example I10) (5.98 g) and hydroxylamine hydrochloride (1.79 g) in methanol (80 ml) was added triethylamine (5.4 ml). The reaction mixture was stirred at ambient temperature for 1 hour. More hydroxylamine hydrochloride (5.4 g) was added and the reaction mixture was stirred at ambient temperature for 16 hours. The solvent was removed and the residue diluted with ethyl acetate (200 ml) and water (150 ml). The phases were separated and the organic layer was washed with brine (100 ml), dried over sodium sulfate and concentrated. The residue was dissolved in a mixture of dichloromethane and heptane and crystallized by slowly evaporating the dichloromethane to give 4-(hydroxyimino-methyl)-2-trifluoromethyl-benzoic acid methyl ester (3.90 g) as a white crystalline powder. 1H-NMR (CDCl3, 400 MHz): 8.18 (s, 1H), 7.97-7.64 (m, 4H), 3.95 (s, 3H).

후처리

  1. stirringthe reaction mixture was stirred at ambient temperature for 16 hours
  2. customThe solvent was removed
  3. additionthe residue diluted with ethyl acetate (200 ml) and water (150 ml)
  4. customThe phases were separated
  5. washthe organic layer was washed with brine (100 ml)
  6. dry with materialdried over sodium sulfate
  7. concentrationconcentrated
  8. dissolutionThe residue was dissolved in a mixture of dichloromethane and heptane
  9. customcrystallized
  10. customby slowly evaporating the dichloromethane

출처 및 근거

ORD 기록
ord-e7583112155d413cbf1fc35bf4838590
출처 데이터셋
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08623896B2

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