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1,3-Benzodioxole → 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,3-benzodioxole

HRID 1244880
ノート
印刷プレビュー

反応式

HRID 1244880 の反応式
[B]1[O:5][C:4]([CH3:7])([CH3:6])[C:3]([CH3:9])([CH3:8])[O:2]1.I[C:11]1[CH:16]=[CH:15][C:14]2[O:17][CH2:18][O:19][C:13]=2[CH:12]=1.O1C2C=CC=CC=2OC1.C1([B:35](O)O)C=CC=CC=1>C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].C(N(CC)CC)C.O1CCOCC1.C(Cl)Cl>[CH3:8][C:3]1([CH3:9])[C:4]([CH3:7])([CH3:6])[O:5][B:35]([C:11]2[CH:16]=[CH:15][C:14]3[O:17][CH2:18][O:19][C:13]=3[CH:12]=2)[O: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

9

反応物 4

HCID 92291,3-Benzodioxole2 回HCID 66827Phenylboronic Acid2 回HCID 1386201-Iodo-3,4-methylenedioxybenzeneHCID 6364989Pinacolborane

生成物 1

HCID 27605895-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,3-benzodioxole

試薬・触媒・溶媒 4

HCID 44119782
Bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)
触媒
HCID 6344Dichloromethane溶媒
HCID 8471Triethylamine溶媒2 回
HCID 312751,4-Dioxane溶媒

反応条件

温度
80 °C

実験手順

To 25.1 mg PdCl2(dppf).CH2Cl2 in a reaction tube under nitrogen were added 4 ml dioxane, 0.42 ml (3 mmol) triethylamine, 0.16 ml (1.1 mmol) pinacolborane and 256 mg (1.03 mmol) 1-iodo-3,4-methylenedioxybenzene. The reaction solution was warmed to 80° C., with stirring, for 16 h in an oil bath. An aliquot (ca. 0.25 ml) of the reaction solution was removed, extracted into ethyl acetate and washed several times with water and brine solution and analysed by gc (fid detector, SGE HT5 capillary column). Hydrogen evolution was observed on the initial contact of the reaction sample with water, indicative that excess pinacolborane was present at the completion of the reaction even though only 1.1 equivalents had been used. Besides the 1,3-benzodioxole (10% of gc peak area) and pinacol ester of phenylboronic acid (7%), the only other product peak in the gc (area of 81%) was that due to the desired arylboronic acid pinacol ester. In a parallel reaction in which the only change was a reduction in the amount of triethylamine used, from 3.0 equivalents to 1.0 equivalents, the product distribution found was 1,3-benzodioxole (23% of gc peak area), the pinacol ester of phenylboronic acid (6%) and the desired arylboronic acid pinacol ester (peak area 69%).

後処理

  1. customAn aliquot (ca. 0.25 ml) of the reaction solution was removed
  2. extractionextracted into ethyl acetate
  3. washwashed several times with water and brine solution
  4. customindicative that excess pinacolborane was present at the completion of the reaction even though only 1.1 equivalents
  5. customIn a parallel reaction in which the only change

出典と根拠

ORDレコード
ord-e130e089ed3e4e999520951cc0469a2b
出典データセット
uspto-grants-2006_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07122694B2

反応ノート

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