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2-Phenylethanol → ethyl 3,4-dihydro-1H-2-benzopyran-1-acetate

HRID 368842
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HRID 368842 반응식
[CH2:1]([OH:9])[CH2:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[CH2:10]([O:12][CH:13]([O:20]CC)[CH2:14][C:15](OCC)=O)[CH3:11]>[Ti](Cl)(Cl)(Cl)Cl.[N+](C)([O-])=O>[CH:15]1([CH2:14][C:13]([O:12][CH2:10][CH3:11])=[O:20])[C:8]2[C:3](=[CH:4][CH:5]=[CH:6][CH:7]=2)[CH2:2][CH2:1][O:9]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 60542-PhenylethanolHCID 66389Ethyl 3,3-diethoxypropionate

생성물 1

HCID 10822798ethyl 3,4-dihydro-1H-2-benzopyran-1-acetate

시약·촉매·용매 2

HCID 24193Titanium Tetrachloride촉매HCID 6375Nitromethane용매

실험 절차

Titanium tetrachloride (1M in methylene chloride, 90 ml, 90.0 mmol) is added over a period of 20 minutes to an ice-cooled mixture of phenethyl alcohol (XLV, 4.9 ml, 41.0 mmol), ethyl 3,3-diethoxypropionate (LXXV, 9.1 ml, 46.8 mmol) and nitromethane (17 ml). The mixture is stirred for 2 hr and then concentrated, diluted with ether, poured into ice/hydrochloric acid (1N), and allowed to stir. The phases are separated and the aqueous phase is extracted three times with ether. The combined organic phases are backwashed with saline, dried over magnesium sulfate and concentrated. The residue is chromatographed on silica gel eluting with ethyl acetate/hexane (10/90). The appropriate fractions are pooled and concentrated to give ethyl (±)-(isochroman-1-yl)acetate (LXXVII), NMR (CDCl3) 1.28, 2.68-3.04, 3.82, 4.13, 4.22, 5.26, 7.05 and 7.16 δ.

후처리

  1. temperaturecooled
  2. concentrationconcentrated
  3. additiondiluted with ether
  4. additionpoured into ice/hydrochloric acid (1N)
  5. stirringto stir
  6. customThe phases are separated
  7. extractionthe aqueous phase is extracted three times with ether
  8. dry with materialdried over magnesium sulfate
  9. concentrationconcentrated
  10. customThe residue is chromatographed on silica gel eluting with ethyl acetate/hexane (10/90)
  11. concentrationconcentrated

출처 및 근거

ORD 기록
ord-b5c2f26e53234191932eecb750729a72
출처 데이터셋
uspto-grants-2000_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06133446

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