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Hydrochloric Acid → 3,3-Dichloro-5-isopropyl-azepan-2-one

HRID 851977
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HRID 851977 반응식
[CH:1]([CH:4]1[CH2:10][CH2:9][NH:8][C:7](=[O:11])[CH2:6][CH2:5]1)([CH3:3])[CH3:2].P(Cl)(Cl)(Cl)(Cl)[Cl:13].[ClH:18]>O>[Cl:18][C:6]1([Cl:13])[CH2:5][CH:4]([CH:1]([CH3:3])[CH3:2])[CH2:10][CH2:9][NH:8][C:7]1=[O:11]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 24819Phosphorus pentachloride2회HCID 123493095-(Propan-2-yl)azepan-2-one

생성물 1

HCID 694911453,3-Dichloro-5-isopropyl-azepan-2-one

시약·촉매·용매 1

HCID 962Water용매

반응 조건

온도
90 °C

실험 절차

5-Isopropyl-azepan-2-one (39.5 g, 254.4 mmol) was dissolved in xylenes (1.1 liter) and phosphorus pentachloride (159.0 g, 763.3 mmol) was added and the reaction mixture slowly warmed to 90° C. HCl(g) accompanied the slow dissolution of phosphorus pentachloride and after 30 min a clear yellow solution resulted. After a further 90 min at 90° C. the reaction mixture was allowed to cool (ice-water bath) and water (500 ml) was added dropwise. The emulsion was stirred for a further 90 min at r.t and the aqueous layer was washed with CHCl3 (3×). The xylene fraction was concentrated under reduced pressure and the residue was dissolved in CHCl3. The combined organic fractions were washed with water (3×), brine and dried (MgSO4) filtered and evaporated under reduced pressure. The crude brown oil was purified over silica gel (ethyl acetate/n-heptane 1:2): white solid 39.8 g (58%);

후처리

  1. customafter 30 min a clear yellow solution resulted
  2. additionwas added dropwise
  3. washthe aqueous layer was washed with CHCl3 (3×)
  4. concentrationThe xylene fraction was concentrated under reduced pressure
  5. dissolutionthe residue was dissolved in CHCl3
  6. washThe combined organic fractions were washed with water (3×), brine
  7. dry with materialdried (MgSO4)
  8. filtrationfiltered
  9. customevaporated under reduced pressure
  10. customThe crude brown oil was purified over silica gel (ethyl acetate/n-heptane 1:2)

출처 및 근거

ORD 기록
ord-40cccb8c518f4033a2ad135e97f083e0
출처 데이터셋
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07253158B2

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