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Phenol → 2-[(3,4-Dimethoxyphenyl)ethynyl]-4,5-dimethoxy-1-(methoxymethoxy)-benzene

HRID 1297194
ノート
印刷プレビュー

反応式

HRID 1297194 の反応式
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:11]#[C:12][C:13]2[CH:20]=[C:19]([O:21][CH3:22])[C:18]([O:23][CH3:24])=[CH:17][C:14]=2C=O)[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].C1C=C(Cl)C=C([C:32]([O:34]O)=[O:33])C=1.[OH-].[K+].[C:38]1(O)C=CC=CC=1.CCN(C(C)C)C(C)C.COCCl>C(Cl)Cl.C([O-])(O)=O.[Na+].CCOC(C)=O.C(Cl)Cl.O>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:11]#[C:12][C:13]2[CH:20]=[C:19]([O:21][CH3:22])[C:18]([O:23][CH3:24])=[CH:17][C:14]=2[O:33][CH2:32][O:34][CH3:38])[CH:6]=[CH:7][C:8]=1[O:9][CH3:10]
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

11

反応物 6

HCID 996PhenolHCID 7864Chloromethyl Methyl EtherHCID 14797Potassium HydroxideHCID 70297m-Chloroperbenzoic acidHCID 81531DiisopropylethylamineHCID 105922122-[(3,4-Dimethoxyphenyl)ethynyl]-4,5-dimethoxybenzaldehyde

生成物 1

HCID 10666090
2-[(3,4-Dimethoxyphenyl)ethynyl]-4,5-dimethoxy-1-(methoxymethoxy)-benzene
収率 67%

試薬・触媒・溶媒 4

HCID 962Water溶媒HCID 6344Dichloromethane溶媒2 回HCID 516892Sodium Bicarbonate溶媒HCID 21226138Dichloromethane ethylacetate溶媒

反応条件

温度
25 °C

実験手順

A stirred solution of 5 (3.13 g, 9.60 mmol, 1.0 equiv) in CH2Cl2 (380 mL under Ar at 25° C. was treated with Na2HPO4 (3.27 g, 23.03 mmol, 2.4 equiv) and m-CPBA (3.98 g, 11.52 mmol, 1.2 equiv). After 18 h, the mixture was diluted with saturated aqueous NaHCO3, extracted with EtOAc, washed with saturated aqueous NaHCO3 and saturated aqueous NaCl, dried (Na2SO4), and concentrated under reduced pressure. The formate was redissolved in MeOH (120 mL), treated with 10% aqueous KOH (7.8 mL, 15.6 mmol, 1.6 equiv), and the mixture was stirred at 25° C. for 1.5 h. The reaction was quenched with the addition of 10% aqueous HCl, extracted with CH2Cl2, washed with H2O, dried (Na2SO4), and the solvent was removed under reduced pressure. An analytically pure sample of the phenol could be prepared by chromatography (SiO2, 5% EtOAc/CH2Cl2): mp 164-165° C. (EtOAc-hexanes); MALDIHRMS (DHB) m/z 337.1058 (M+Na+, C18H18O5 requires 337.1046). A solution of the crude phenol in CH2Cl2 (100 mL) under Ar at 0° C. was treated with iPr2NEt (6.70 mL, 38.4 mmol, 4.0 equiv) and chloromethyl methyl ether (2.19 mL, 28.8 mmol, 3.0 equiv). The mixture was warmed to 25° C. and allowed to stir for 18 h. Following dilution with H2O, the mixture was extracted with CH2Cl2, washed with saturated aqueous NaHCO3, saturated aqueous NaCl, dried (Na2SO4), and concentrated under reduced pressure. Chromatography (SiO2, 4.5 (15 cm, 5% EtOAc/CH2Cl2) afforded 6 (2.32 g, 67% yield) as an orange solid: mp 84-86° C. (EtOAc-hexanes); MALDIHRMS (DHB) m/z 358.1411 (M+, C20H22O6 requires 358.1416).

後処理

  1. extractionextracted with EtOAc
  2. washwashed with saturated aqueous NaHCO3 and saturated aqueous NaCl
  3. dry with materialdried (Na2SO4)
  4. concentrationconcentrated under reduced pressure
  5. dissolutionThe formate was redissolved in MeOH (120 mL)
  6. customThe reaction was quenched with the addition of 10% aqueous HCl
  7. extractionextracted with CH2Cl2
  8. washwashed with H2O
  9. dry with materialdried (Na2SO4)
  10. customthe solvent was removed under reduced pressure
  11. customAn analytically pure sample of the phenol could be prepared by chromatography (SiO2, 5% EtOAc/CH2Cl2)
  12. temperatureThe mixture was warmed to 25° C.
  13. stirringto stir for 18 h
  14. extractionthe mixture was extracted with CH2Cl2
  15. washwashed with saturated aqueous NaHCO3, saturated aqueous NaCl
  16. dry with materialdried (Na2SO4)
  17. concentrationconcentrated under reduced pressure

出典と根拠

ORDレコード
ord-a508ad568bb84d4c927bc6b6f8fed3db
出典データセット
uspto-grants-2007_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07250409B2

反応ノート

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