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Hydrochloric Acid → (1S)-2-Nitro-1-[3-({3-[(phenylmethyl)oxy]propyl}oxy)phenyl]ethanol

HRID 595341
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HRID 595341 반응식
C[C@]12C(C)(C)[C@H](CC1)C[C@H]2NCCN[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)CC2.[C:25]1([CH2:31][O:32][CH2:33][CH2:34][CH2:35][O:36][C:37]2[CH:38]=[C:39]([CH:42]=[CH:43][CH:44]=2)[CH:40]=[O:41])[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.[N+:45]([CH3:48])([O-:47])=[O:46].C(N(C(C)C)CC)(C)C.Cl>O.C([O-])(=O)C.[Cu+2].C([O-])(=O)C.COC(C)(C)C.C(O)C>[N+:45]([CH2:48][C@H:40]([C:39]1[CH:42]=[CH:43][CH:44]=[C:37]([O:36][CH2:35][CH2:34][CH2:33][O:32][CH2:31][C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=2)[CH:38]=1)[OH:41])([O-:47])=[O:46]
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참가 물질

9

반응물 5

HCID 313Hydrochloric AcidHCID 6375NitromethaneHCID 81531DiisopropylethylamineHCID 44477597N1,N2-bis[(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-1,2-ethanediamineHCID 866376223-(3-(Benzyloxy)propoxy)benzaldehyde

생성물 1

HCID 56926628(1S)-2-Nitro-1-[3-({3-[(phenylmethyl)oxy]propyl}oxy)phenyl]ethanol

시약·촉매·용매 3

HCID 165397Cupric acetate monohydrate촉매HCID 702Ethanol용매2회HCID 15413tert-Butyl methyl ether용매

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온도
55 °C

실험 절차

Copper (II) acetate monohydrate (3.70 g, 0.05 eq) and bis-camphorethylenediamine (N1,N2-bis[(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-1,2-ethanediamine) (7.38 g, 0.06 eq) were charged to a reactor, followed by ethanol (200 mL, 2 vol). The contents were heated to 50-60° C. for ˜1 h or until all solids dissolved, then cooled to room temperature and stirred, at which time a solution of 3-({3-[(phenylmethyl)oxy]propyl}oxy)benzaldehyde in ethanol (100 g, 1 eq in 50 mL, 0.5 vol) was charged. The reaction mixture was cooled to −10° C. to −20° C., whereupon nitromethane (112.7 g, 5 eq) was added slowly to the reaction, maintaining a temperature below −10° C., followed by diisopropylethylamine (1.94 mL, 1.44 g, 0.03 eq). The reaction temperature was maintained at −10° C. for ˜22-30 h. When the reaction was complete, a room temperature solution of 1 N HCl (250 mL, 2.5 vol) and t-butyl methyl ether (TBME, 500 mL, 5 vol) were charged to the reaction vessel. Following the addition, the contents were stirred for ˜5 minutes and brought to 20° C. (˜room temperature), and then the layers were allowed to separate and the aqueous phase removed. The organic phase was then washed 2× with water (250 mL, 2.5 vol) and each time the aqueous phase removed. TBME was then distilled off and replaced with absolute ethanol.

후처리

  1. dissolutiondissolved
  2. temperaturecooled to room temperature
  3. additionwas charged
  4. additionwas added slowly to the reaction
  5. temperaturemaintaining a temperature below −10° C.
  6. temperatureThe reaction temperature was maintained at −10° C. for ˜22-30 h
  7. customwas complete, a room temperature
  8. additionwere charged to the reaction vessel
  9. additionthe addition
  10. custombrought to 20° C.
  11. custom(˜room temperature)
  12. customto separate
  13. customthe aqueous phase removed
  14. washThe organic phase was then washed 2× with water (250 mL, 2.5 vol)
  15. customeach time the aqueous phase removed
  16. distillationTBME was then distilled off

출처 및 근거

ORD 기록
ord-f58648a1b7a54d70bd3e769d3fdacb73
출처 데이터셋
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09243003B2

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