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Tetrahydrofuran → HCID 59828851、化合物

HRID 1190991
ノート
印刷プレビュー

反応式

HRID 1190991 の反応式
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:11]=[N:12][C:13](Cl)=[CH:14][CH:15]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH:17]1([C:23]#[CH:24])[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]1.C(N(CC)CC)C.C1COCC1>C([O-])(O)=O.[Na+].CCOC(C)=O.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cu]I>[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:11]=[N:12][C:13]([C:24]#[C:23][CH:17]2[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]2)=[CH:14][CH:15]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2]
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 8028TetrahydrofuranHCID 8471TriethylamineHCID 70263EthynylcyclohexaneHCID 15449580Tert-butyl [(6-chloropyridin-3-yl)methyl]carbamate

生成物 1

HCID 59828851HCID 59828851、化合物収率 55%

試薬・触媒・溶媒 4

HCID 24350
Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
触媒
HCID 178418476HCID 178418476、化合物触媒
HCID 8857Ethyl Acetate溶媒
HCID 516892Sodium Bicarbonate溶媒

実験手順

Under a nitrogen atmosphere, add 3-(tert-butoxycarbonylamino-methyl)-6-chloropyridine (1 g, 4.12 mmol), cyclohexylacetylene (0.446 g, 4.12 mmol), dichlorobis(triphenylphosphine)-palladium (578 mg, 0.824 mmol), copper(I) iodide (157 mg, 0.824 mmol) and triethylamine (8.6 mL, 6.18 mmol) to THF (20 mL). Heat the mixture to reflux overnight. Cool the mixture to room temperature, and dilute with saturated aqueous NaHCO3 (50 mL) and EtOAc (50 mL). Separate the layers and extract the aqueous layer with EtOAc (4×30 mL). Wash the combined organic extracts with brine (20 mL), dry over Na2SO4, filter and concentrate in vacuo. Purify the crude mixture by chromatography on silica gel (120 g, pre-packed cartridge) eluting with hexane/EtOAc (1:0 to 6:1 gradient over 1.25 h, 80 mL/min) to obtain the desired intermediate as a colorless oil (0.71 g, 55%). MS (APCI+) m/z: 215 (M-Boc+H)+.

後処理

  1. temperatureHeat the mixture
  2. temperatureto reflux overnight
  3. customSeparate the layers
  4. extractionextract the aqueous layer with EtOAc (4×30 mL)
  5. washWash the combined organic extracts with brine (20 mL)
  6. dry with materialdry over Na2SO4
  7. filtrationfilter
  8. concentrationconcentrate in vacuo
  9. customPurify the crude mixture by chromatography on silica gel (120 g, pre-packed cartridge)
  10. washeluting with hexane/EtOAc (1:0 to 6:1 gradient over 1.25 h, 80 mL/min)

出典と根拠

ORDレコード
ord-1340c314287e4496b234e943d1d7bd60
出典データセット
uspto-grants-2014_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08680091B2

反応ノート

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