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Allyl bromide → 4-Methoxyphenyl 3-O-prop-2-en-1-yl-beta-D-galactopyranoside

HRID 1067045
ノート
印刷プレビュー

反応式

HRID 1067045 の反応式
C([O:4][C@@H:5]1[C@@H:19]([O:20][C:21](=O)[CH3:22])[C@@H:18]([O:24]C(=O)C)[C@@H:17]([CH2:28][O:29]C(=O)C)[O:16][C@H:6]1[O:7][C:8]1[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[CH:10][CH:9]=1)(=O)C.C[O-].[Na+].O(C1C=CC(OC)=CC=1)[C@@H:37]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.C([Sn](=O)CCCC)CCC.C(Br)C=C>CO.[I-].C([N+](CCCC)(CCCC)CCCC)CCC>[CH2:21]([O:20][C@H:19]1[C@@H:18]([OH:24])[C@@H:17]([CH2:28][OH:29])[O:16][C@@H:6]([O:7][C:8]2[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[CH:10][CH:9]=2)[C@@H:5]1[OH:4])[CH:22]=[CH2:37]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

8

反応物 5

HCID 7841Allyl bromide2 回HCID 61221Dibutyltin oxideHCID 10942334Sodium MethoxideHCID 113006434-Methoxyphenyl beta-D-GalactopyranosideHCID 13325756(2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate

生成物 1

HCID 15540867
4-Methoxyphenyl 3-O-prop-2-en-1-yl-beta-D-galactopyranoside
収率 85%

試薬・触媒・溶媒 2

HCID 67553Tetrabutylammonium Iodide触媒HCID 887Methanol溶媒2 回

反応条件

温度
60 °C

実験手順

To a solution of 6 (5.25 g, 11.57 mmol) in anhydrous methanol (50 mL) and under nitrogen was added a catalytic amount of sodium methoxide. After 5 hours at room temperature, the reaction mixture was neutralized with resin IR 120 (H+), filtered, and the solvent was evaporated. The resulting p-methoxyphenyl β-D-galactopyranoside 7 was used without any further purification and characterization. Compound 7 (3.24 g, 11.34 mmol) in solution in anhydrous methanol (50 mL) and under nitrogen was reacted with dibutyltin oxide (3.11 g, 12.48 mmol). After 4 hours at reflux, the reaction mixture was concentrated under vacuum. The dried residue was suspended in toluene (80 mL) and treated with allyl bromide (1.17 mL, 13.61 mmol) and tetrabutylammonium iodide (4.17 g, 11.34 mmol). The suspension was stirred under nitrogen at 60° C. for 18 h. TLC of the resulting brownish solution showed the presence of 50% of unreacted starting material. This solution was reacted with additional allyl bromide (0.58 mL, 6.80 mmol). After 18 hours at 60° C., the solvent was evaporated and the residue was purified by chromatography on silica gel (ethyl acetate) to afford 8 in 85% yield (3.16 g), isolated as yellowish crystals. Recrystallization of 8 in ethyl acetate afforded white crystals. mp=140-141° C.; [αD]23 =−8° (c 1, CHCl3); 1H NMR (500 MHz, CD3OD): δ3.32 (m, 1H, H-5), 3.39 (dd, 1H, J2,3 9.5 Hz, J3,4 3.2 Hz, H-3), 3.58 (t, 1H, J5,6b 6.1 Hz, J6a,6b 6.0 Hz, H-6b), 3.75 (s, 3H, OMe), 3.78 (dd, 1H, J5,6a 4.8 Hz, H-6a), 3.86 (dd, 1H, J1,2 7.9 Hz, H-2), 4.07 (d, 1H, J4,5<1.5 Hz, H-4), 4.17 and 4.26 (2 dd, 1H each, OCH2), 4.74 (d, 1H, H-1), 5.18 and 5.34 (2 dd, 1H each, CH═CH2), 6.00 (m, 1H, CH═CH2), 6.80 and 7.08 (2 d, 2H each, Ph). Anal. Calcd for C16H22O7 (326.3): C 58.89, H 6.79; found: C 58.37, H 6.91.

後処理

  1. filtrationfiltered
  2. customthe solvent was evaporated
  3. customThe resulting p-methoxyphenyl β-D-galactopyranoside 7 was used without any further purification and characterization
  4. temperatureAfter 4 hours at reflux
  5. concentrationthe reaction mixture was concentrated under vacuum
  6. waitAfter 18 hours at 60° C.
  7. customthe solvent was evaporated
  8. customthe residue was purified by chromatography on silica gel (ethyl acetate)
  9. customto afford 8 in 85% yield (3.16 g)
  10. customisolated as yellowish crystals
  11. customRecrystallization of 8 in ethyl acetate afforded white crystals
  12. custom[αD]23 =−8° (c 1, CHCl3)

出典と根拠

ORDレコード
ord-d9e1f996fe63458ab5ba8fd4c698f64d
出典データセット
uspto-grants-2001_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06245902B1

反応ノート

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