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Stannane, tributyl(1-ethoxyethenyl)- → Ethyl 5-chloro-6-(1-ethoxyvinyl)nicotinate

HRID 57450
ノート
印刷プレビュー

反応式

HRID 57450 の反応式
[Cl:1][C:2]1[C:3](Cl)=[N:4][CH:5]=[C:6]([CH:12]=1)[C:7]([O:9][CH2:10][CH3:11])=[O:8].C([Sn](CCCC)(CCCC)[C:19]([O:21][CH2:22][CH3:23])=[CH2:20])CCC>[Cl-].C([N+](CC)(CC)CC)C.CC#N.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>[Cl:1][C:2]1[C:3]([C:19]([O:21][CH2:22][CH3:23])=[CH2:20])=[N:4][CH:5]=[C:6]([CH:12]=1)[C:7]([O:9][CH2:10][CH3:11])=[O:8]
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 2

HCID 619414Stannane, tributyl(1-ethoxyethenyl)-HCID 16762519Ethyl 5,6-Dichloronicotinate

生成物 1

HCID 86730204Ethyl 5-chloro-6-(1-ethoxyvinyl)nicotinate

試薬・触媒・溶媒 3

HCID 5946Tetraethylammonium Chloride触媒HCID 178418476HCID 178418476、化合物触媒
HCID 6342
Acetonitrile
溶媒

反応条件

温度
80 °C

実験手順

To a suspension of ethyl 5,6-dichloronicotinate (5.26 g, 23.90 mmol) and tetraethylammonium-chloride (11.88 g, 71.7 mmol) in MeCN (50 mL) was added tributyl(1-ethoxyvinyl)stannane (9.50 g, 26.3 mmol) and PdCl2(PPh3)2 (0.671 g, 0.956 mmol). The reaction was sealed, heated at 80° C. for 5 hours. A dark color clear solution resulted. The reaction mixture was then cooled to 20° C., concentrated and diluted with EtOAc (200 mL), and washed with water (50 mL) and brine (50 mL). The organic was then dried (Na2SO4) and concentrated to give crude ethyl 5-chloro-6-(1-ethoxyvinyl)nicotinate. The residue was then dissolved in THF (100 mL) and HCl (20 mL, 3M in H2O) was added. The reaction mixture was stirred at 20° C. for 5 hours, and saturated NaHCO3 solution was added until pH=8. The mixture was then diluted with EtOAc (200 mL) and water (50 mL). The phases were separated and the aqueous layer was extracted with EtOAc (2×50 mL). The combined organics was washed with brine (20 mL), dried (Na2SO4) and concentrated to afford the desired product (3.56 g). LCMS m/z 228.5 (M+H)+, Rt 0.83 min.

後処理

  1. customThe reaction was sealed
  2. customA dark color clear solution resulted
  3. temperatureThe reaction mixture was then cooled to 20° C.
  4. concentrationconcentrated
  5. additiondiluted with EtOAc (200 mL)
  6. washwashed with water (50 mL) and brine (50 mL)
  7. dry with materialThe organic was then dried (Na2SO4)
  8. concentrationconcentrated

出典と根拠

ORDレコード
ord-9c4ee16e440945a6bfeb745f1ec38fef
出典データセット
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09434719B2

反応ノート

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