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Cesium carbonate → HCID 57625128、化合物

HRID 1363512
ノート
印刷プレビュー

反応式

HRID 1363512 の反応式
Br[C:2]1[C:7]([F:8])=[CH:6][CH:5]=[C:4]([Br:9])[N:3]=1.[S:10]1[C:14]([C:15]([NH2:17])=[O:16])=[CH:13][C:12]2[CH2:18][CH2:19][CH2:20][CH2:21][C:11]1=2.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>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>[Br:9][C:4]1[N:3]=[C:2]([NH:17][C:15]([C:14]2[S:10][C:11]3[CH2:21][CH2:20][CH2:19][CH2:18][C:12]=3[CH:13]=2)=[O:16])[C:7]([F:8])=[CH:6][CH:5]=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 10796Cesium carbonateHCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 122315074,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxamideHCID 529112372,6-Dibromo-3-fluoropyridine

生成物 1

HCID 57625128HCID 57625128、化合物収率 37.2%

試薬・触媒・溶媒 2

HCID 9811564
Bis(dibenzylideneacetone)palladium
触媒
HCID 312751,4-Dioxane溶媒

実験手順

A 1-L three-neck round-bottomed flask equipped with a mechanical stirrer, reflux condenser and nitrogen inlet was charged with 1,4-dioxane (56 mL), 37 (3.00 g, 11.7 mmol),4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide (1.29 g, 7.12 mmol) and cesium carbonate (5.09 g, 15.6 mmol). After bubbling nitrogen through the resulting solution for 30 min, Xantphos (350 mg, 0.605 mmol) and tris(dibenzylideneacetone)-dipalladium(0) (326 mg, 0.365 mmol) were added and the reaction mixture was heated at reflux for 2 h. After this time the reaction was cooled to room temperature and filtered through a pad of Celite 521. The filter cake was washed with methylene chloride (50 mL). The filtrate was concentrated under reduced pressure and the resulting residue was purified by column chromatography using 500 cc of silica and eluting with 5% EtOAc/hexanes to afford a 37% yield of 38 (940 mg) a white solid: Rf=0.55 (20% ethyl acetate in hexanes); 1H NMR (500 MHz, CDCl3) δ7.80 (bs, 1H), 7.38 (m, 1H), 7.37 (s, 1H), 7.32 (dd, 1H, J=3.0, 8.0 Hz), 2.81 (t, 2H, J=6.5 Hz), 2.64 (t, 2H, J=6.0 Hz), 1.85 (m, 4H); MS (ESI+) m/z 355.1 (M+H) and N-(6-bromo-5-fluoropyridin-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide in 34% yield as a white solid: Rf=0.85 (20% ethyl acetate in hexanes); 1H NMR (500 MHz, CDCl3) δ 8.29 (dd, 1H, J=3.5, 9.0 Hz), 8.24 (bs, 1H), 7.47 (dd, 1H, m), 7.33 (s, 1H), 2.81 (t, 2H, J=6.5 Hz), 2.64 (t, 2H, J=6.0 Hz), 1.85 (m, 4H); MS (ESI+) m/z 355.1 (M+H).

後処理

  1. customA 1-L three-neck round-bottomed flask equipped with a mechanical stirrer
  2. temperaturereflux condenser and nitrogen inlet
  3. customAfter bubbling nitrogen through the resulting solution for 30 min
  4. temperaturethe reaction mixture was heated
  5. temperatureat reflux for 2 h
  6. filtrationfiltered through a pad of Celite 521
  7. washThe filter cake was washed with methylene chloride (50 mL)
  8. concentrationThe filtrate was concentrated under reduced pressure
  9. customthe resulting residue was purified by column chromatography
  10. washeluting with 5% EtOAc/hexanes

出典と根拠

ORDレコード
ord-ee0bc23fea3e41c3ab64752073d7ec03
出典データセット
uspto-grants-2011_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07884108B2

反応ノート

読み込み中…

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