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Hydrochloric Acid → 7-Methyl-1,3-dihydro-2,1-benzoxaborol-1-ol

HRID 723027
ノート
印刷プレビュー

反応式

HRID 723027 の反応式
[CH2:1]([Li])[CH2:2][CH2:3][CH3:4].[CH3:6][O:7][B:8]([O:11]C)OC.CCO[C:16]([CH3:18])=O.Cl.[CH3:20]COCC>>[CH3:4][C:3]1[C:18]2[B:8]([OH:11])[O:7][CH2:6][C:16]=2[CH:20]=[CH:1][CH:2]=1
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

6

反応物 5

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 8470Trimethyl borateHCID 8857Ethyl AcetateHCID 178418339Butyllithium

生成物 1

HCID 218861847-Methyl-1,3-dihydro-2,1-benzoxaborol-1-ol

反応条件

温度
-78 °C

実験手順

Butyllithium (2.5 M, 2.91 mL, 7.3 mmol) was added dropwise to a −78° C. solution of aryl halide ((Example 5: step a) 723 mg, 2.91 mmol) in Et2O (12 mL). The solution was stirred at −78° C. for 2 h and trimethylborate (3.3 mL, 29.1 mmol) was added in one portion. The solution was warmed to rt over 15 min and stirred for 1 h at rt (appearance of gelatin-like ppt). EtOAc (80 mL) and HCl (0.1 N, 30 mL) were added and the biphasic solution was stirred for 15 min. The layers were separated and the organic layer was washed with HCl (0.1N, 2×10 mL), water (10 mL), brine (30 mL), and was dried over sodium sulfate. Concentration of the solution in vacuo yielded an oily solid which further solidified upon trituration with hexanes. The crude title compound (contaminated with butylboronate products) was used without further purification, existing as a mixture of the cyclic half-ester and the free boronic acid. 1H-NMR (CDCl3): δ 7.1–7.4 (m, 3H), 5.23 (m, 2H), 2.57 (s, 3H).

後処理

  1. temperatureThe solution was warmed to rt over 15 min
  2. stirringstirred for 1 h at rt (appearance of gelatin-like ppt)
  3. stirringthe biphasic solution was stirred for 15 min
  4. customThe layers were separated
  5. washthe organic layer was washed with HCl (0.1N, 2×10 mL), water (10 mL), brine (30 mL)
  6. dry with materialwas dried over sodium sulfate
  7. customConcentration of the solution in vacuo yielded an oily solid which
  8. customThe crude title compound (contaminated with butylboronate products) was used without further purification
  9. additionexisting as a mixture of the cyclic half-ester

出典と根拠

ORDレコード
ord-fbd50e43aee348958be7003187671801
出典データセット
uspto-grants-2006_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07138530B2

反応ノート

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