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Potassium Carbonate → 3-(Benzyloxy)-4-bromo-5-((2-(trimethylsilyl)ethoxy)methoxy)benzoic acid

HRID 1027243
ノート
印刷プレビュー

反応式

HRID 1027243 の反応式
[CH3:1][Si:2]([CH3:9])([CH3:8])[CH2:3][CH2:4][O:5][CH2:6]Cl.[CH2:10]([O:17][C:18]1[CH:19]=[C:20]([CH:25]=[C:26]([OH:29])[C:27]=1[Br:28])[C:21]([O:23]C)=[O:22])[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.C(=O)([O-])[O-].[K+].[K+].[OH-].[Na+]>CN(C=O)C.O1CCCC1.CO>[CH2:10]([O:17][C:18]1[CH:19]=[C:20]([CH:25]=[C:26]([O:29][CH2:6][O:5][CH2:4][CH2:3][Si:2]([CH3:9])([CH3:8])[CH3:1])[C:27]=1[Br:28])[C:21]([OH:23])=[O:22])[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 11430Potassium CarbonateHCID 14798Sodium HydroxideHCID 27242712-Chloromethyl 2-(trimethylsilyl)ethyl ether2 回HCID 86710603Methyl 3-(benzyloxy)-4-bromo-5-hydroxybenzoate

生成物 1

HCID 867106503-(Benzyloxy)-4-bromo-5-((2-(trimethylsilyl)ethoxy)methoxy)benzoic acid収率 88.2%

試薬・触媒・溶媒 2

HCID 6228
Dimethylformamide
溶媒
HCID 21899815MeOH tetrahydrofuran溶媒

実験手順

(2-(Trimethylsilyl)ethoxymethyl chloride (SEM-Cl, 3.10 mL, 17.5 mmol) was added to a mixture of methyl 3-(benzyloxy)-4-bromo-5-hydroxybenzoate (Example 22-1 Step 1, 5.36 g, 15.9 mmol) and potassium carbonate (5.49 g, 39.7 mmol) in DMF (53.0 mL), and the mixture was allowed to stir at room temperature for two days. An additional portion of SEM-Cl (3.10 mL, 17.5 mmol) was added and the mixture stirred an additional 4 hours. The reaction mixture was partitioned between saturated sodium bicarbonate and 1:1 ethyl acetate/diethyl ether. The organic phase was washed with water (5×), brine, dried over MgSO4, and concentrated to a light orange oil. The crude product was dissolved into 2:1 tetrahydrofuran/methanol (100 mL) and aqueous sodium hydroxide solution (2.0 M, 63.6 mL, 127 mmol) was added. The solution was stirred for 1 hour after which time volatiles were removed via rotary evaporation. The remaining solution was acidified to pH 3 by slow addition of concentrated hydrochloric acid, extracted with dichloromethane (1×), then with 1:1 ether/ethyl acetate (4×). The combined extracts were washed with brine, dried over MgSO4 and concentrated to a solid. The crude product was triturated with heptane and dried under vacuum to provide 3-(benzyloxy)-4-bromo-5-((2-(trimethylsilyl)ethoxy)methoxy)benzoic acid (6.36 g) as a white solid. MS (M+1)=453.4. 1H NMR (400 MHz, CHLOROFORM-d) δ ppm 7.28-7.59 (m, 7H) 5.36 (s, 2H) 5.18-5.28 (m, 2H) 3.75-3.90 (m, 2H) 0.92-1.03 (m, 2H) 0.00 (s, 9H).

後処理

  1. stirringthe mixture stirred an additional 4 hours
  2. customThe reaction mixture was partitioned between saturated sodium bicarbonate and 1:1 ethyl acetate/diethyl ether
  3. washThe organic phase was washed with water (5×), brine
  4. dry with materialdried over MgSO4
  5. concentrationconcentrated to a light orange oil
  6. additionwas added
  7. stirringThe solution was stirred for 1 hour after which time volatiles
  8. customwere removed via rotary evaporation
  9. additionThe remaining solution was acidified to pH 3 by slow addition of concentrated hydrochloric acid
  10. extractionextracted with dichloromethane (1×)
  11. washThe combined extracts were washed with brine
  12. dry with materialdried over MgSO4
  13. concentrationconcentrated to a solid
  14. customThe crude product was triturated with heptane
  15. customdried under vacuum

出典と根拠

ORDレコード
ord-2ae3b9dc3c1240a0b9caaa7d91cd1d47
出典データセット
uspto-grants-2014_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08729263B2

反応ノート

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