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Ethyl oxoacetate → Ethyl 2-(6-chloro-7-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-hydroxyacetate

HRID 514103
ノート
印刷プレビュー

反応式

HRID 514103 の反応式
[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[F:12])[C:8]([OH:13])=[CH:7][C:6]([CH3:14])=[CH:5]2.[C:15]([O:19][CH2:20][CH3:21])(=[O:18])[CH:16]=[O:17]>ClCCl.[Ti](Cl)(Cl)(Cl)Cl>[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[F:12])[C:8]([OH:13])=[C:7]([CH:16]([OH:17])[C:15]([O:19][CH2:20][CH3:21])=[O:18])[C:6]([CH3:14])=[CH:5]2
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 70211Ethyl oxoacetateHCID 671261486-Chloro-7-fluoro-3-methylnaphthalen-1-ol

生成物 1

HCID 67126131Ethyl 2-(6-chloro-7-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-hydroxyacetate収率 58.7%

試薬・触媒・溶媒 2

HCID 24193Titanium Tetrachloride触媒HCID 6344Dichloromethane溶媒3 回

実験手順

To a mixture of 6-chloro-7-fluoro-3-methylnaphthalen-1-ol (2.24 g, 13.78 mmol) in anhydrous dichloromethane (100 mL) at −40° C. was added a 1 M titanium(IV) chloride solution in dichloromethane (13.78 mL, 13.78 mmol) and stirred for 45 min. Ethyl glyoxylate (1.69 g, 16.54 mmol) dissolved in dichloromethane (5 mL) was added over 15 minutes and stirred for 1 hour at −40° C. The reaction was quenched by the addition of Rochelle's salt solution and stirred at room temperature for 2.5 hours. The resulting mixture was washed with water and aqueous layer back-extracted with dichloromethane (2×). The combined organic layer was dried (MgSO4), filtered, concentrated and purified by flash column chromatography (silica gel, 5 to 30% ethyl acetate/hexanes) to give an off-white solid (2.53 g). 1H-NMR: 400 MHz, (CDCl3) δ: 8.48 (s, 1H), 7.89 (d, J=10.5 Hz, 1H), 7.70 (d, J=7.2 Hz, 1H), 7.11 (s, 1H), 5.67 (s, 1H), 4.30 (dq, J=10.8, 7.1 Hz, 1H), 4.15 (dq, J=10.8, 7.1 Hz, 1H), 3.61 (s, 1H), 2.52 (s, 3H), 1.20 (t, J=7.1 Hz, 3H). LCMS-ESI+ (m/z): [M+H]+ calcd for C15H13ClFO4: 311.7; found: 311.0.

後処理

  1. additionwas added over 15 minutes
  2. stirringstirred for 1 hour at −40° C
  3. customThe reaction was quenched by the addition of Rochelle's salt solution
  4. stirringstirred at room temperature for 2.5 hours
  5. washThe resulting mixture was washed with water and aqueous layer
  6. extractionback-extracted with dichloromethane (2×)
  7. dry with materialThe combined organic layer was dried (MgSO4)
  8. filtrationfiltered
  9. concentrationconcentrated
  10. custompurified by flash column chromatography (silica gel, 5 to 30% ethyl acetate/hexanes)

出典と根拠

ORDレコード
ord-b226f3c8d0d8482fb7ca23d2ad179b7a
出典データセット
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09102614B2

反応ノート

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