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

HRID 368842
ノート
印刷プレビュー

反応式

HRID 368842 の反応式
[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
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 2

HCID 60542-PhenylethanolHCID 66389Ethyl 3,3-diethoxypropionate

生成物 1

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

試薬・触媒・溶媒 2

HCID 24193Titanium Tetrachloride触媒HCID 6375Nitromethane溶媒

実験手順

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.

後処理

  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

出典と根拠

ORDレコード
ord-b5c2f26e53234191932eecb750729a72
出典データセット
uspto-grants-2000_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06133446

反応ノート

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