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Cesium carbonate → 5-(3-Methylazetidin-1-yl)-2-nitropyridine

HRID 1919035
ノート
印刷プレビュー

反応式

HRID 1919035 の反応式
C1(S([O-])(=O)=O)C=CC=CC=1.[CH3:11][CH:12]1[CH2:15][NH2+:14][CH2:13]1.[N+:16]([C:19]1[CH:24]=[CH:23][C:22](Br)=[CH:21][N:20]=1)([O-:18])=[O:17].C(=O)([O-])[O-].[Cs+].[Cs+].CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2>C(Cl)Cl.CO.O.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].O1CCOCC1>[CH3:11][CH:12]1[CH2:15][N:14]([C:22]2[CH:23]=[CH:24][C:19]([N+:16]([O-:18])=[O:17])=[N:20][CH:21]=2)[CH2:13]1
参加物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 10796Cesium carbonateHCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 8176205-Bromo-2-nitropyridineHCID 866612493-Methylazetidinium benzenesulfonate

生成物 1

HCID 580441445-(3-Methylazetidin-1-yl)-2-nitropyridine収率 69%

試薬・触媒・溶媒 4

HCID 9811564
Bis(dibenzylideneacetone)palladium
触媒
HCID 962Water溶媒
HCID 312751,4-Dioxane溶媒
HCID 21226129Dichloromethane methanol溶媒

実験手順

A 500-mL single-neck round-bottomed flask equipped with a magnetic stirrer and nitrogen inlet was charged with 3-methylazetidinium benzenesulfonate (4.02 g, 17.5 mmol), 2-nitro-5-bromo pyridine (3.56 g, 17.5 mmol), cesium carbonate (28.5 g, 87.7 mmol) and 1,4-dioxane (50 mL). After bubbling nitrogen through the resulting suspension for 30 min, Xantphos (862 mg, 1.50 mmol) and tris(dibenzylidene-acetone)dipalladium(0) (800 mg, 0.900 mmol) were added. A reflux condenser was attached to the flask, and the reaction mixture was heated at reflux for 3 h. After this time, the mixture was cooled to room temperature and diluted with 90:10 methylene chloride/methanol (100 mL) and water (75 mL), and the layers were separated. The aqueous layer was extracted with 90:10 methylene chloride/methanol (2×50 mL), and the combined organic extracts were washed with brine and dried over sodium sulfate. The drying agent was removed by filtration. The filtrate was concentrated under reduced pressure, and the resulting residue was purified by flash column chromatography (silica, 0% to 80% ethyl acetate/hexanes) to afford 236a in 69% yield (2.35 g) as an amorphous yellow solid: mp 141-143° C.; 1H NMR (500 MHz, CDCl3) d 8.12 (d, 1H, J=9.0 Hz), 7.60 (d, 1H, J=2.5 Hz), 6.66 (dd, 1H, J=9.0, 2.5 Hz), 4.23 (t, 2H, J=8.5 Hz), 3.68 (m, 2H), 2.99 (m, 1H), 1.36 (d, 3H, J=7.0 Hz; MS (ESI+) m/z 194.0 (M+H)

後処理

  1. customA 500-mL single-neck round-bottomed flask equipped with a magnetic stirrer and nitrogen inlet
  2. customAfter bubbling nitrogen through the resulting suspension for 30 min
  3. customA reflux condenser was attached to the flask
  4. temperaturethe reaction mixture was heated
  5. temperatureat reflux for 3 h
  6. customthe layers were separated
  7. extractionThe aqueous layer was extracted with 90:10 methylene chloride/methanol (2×50 mL)
  8. washthe combined organic extracts were washed with brine
  9. dry with materialdried over sodium sulfate
  10. customThe drying agent was removed by filtration
  11. concentrationThe filtrate was concentrated under reduced pressure
  12. customthe resulting residue was purified by flash column chromatography (silica, 0% to 80% ethyl acetate/hexanes)

出典と根拠

ORDレコード
ord-65236d20153a45e48f7e3d51f05ed397
出典データセット
uspto-grants-2013_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08618107B2

反応ノート

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