ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

Triethyloxonium tetrafluoroborate → 7-[(2,4-Dichloro-3-fluorophenyl)carbonyl]-3-(4-methyl-2-pyrimidinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

HRID 1889098
ノート
印刷プレビュー

反応式

HRID 1889098 の反応式
[Cl:1][C:2]1[C:7]([F:8])=[C:6]([Cl:9])[CH:5]=[CH:4][C:3]=1[C:10]([N:12]1[CH2:17][CH2:16][NH:15][C:14](=O)[CH2:13]1)=[O:11].F[B-](F)(F)F.C([O+](CC)CC)C.[CH3:31][C:32]1[CH:37]=[CH:36][N:35]=[C:34]([C:38](=N)[NH:39][NH2:40])[N:33]=1>ClCCl.C(O)CCC>[Cl:1][C:2]1[C:7]([F:8])=[C:6]([Cl:9])[CH:5]=[CH:4][C:3]=1[C:10]([N:12]1[CH2:17][CH2:16][N:15]2[C:38]([C:34]3[N:33]=[C:32]([CH3:31])[CH:37]=[CH:36][N:35]=3)=[N:39][N:40]=[C:14]2[CH2:13]1)=[O:11]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 3

HCID 2723982Triethyloxonium tetrafluoroborateHCID 665993614-[(2,4-Dichloro-3-fluorophenyl)carbonyl]-2-piperazinoneHCID 178428523HCID 178428523、化合物

生成物 1

HCID 665994157-[(2,4-Dichloro-3-fluorophenyl)carbonyl]-3-(4-methyl-2-pyrimidinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine収率 63.7%

試薬・触媒・溶媒 2

HCID 263
1-Butanol
溶媒
HCID 6344Dichloromethane溶媒

実験手順

4-[(2,4-Dichloro-3-fluorophenyl)carbonyl]-2-piperazinone (I37)(0.250 g, 0.859 mmol) was dissolved in dichloromethane (DCM) (2.147 ml) and triethyloxonium tetrafluoroborate (0.196 g, 1.031 mmol) was added. The solution was left to stir at room temperature under argon for 18 hours. 4-Methyl-2-pyrimidine carboximidohydrazide (I99) (0.156 g, 1.031 mmol) was dissolved in 1-butanol (2.147 ml) and this was added to the reaction mixture and this was left to stir under argon for a further 60 minutes. The dichloromethane was removed under reduced pressure and the reaction mixture was left at reflux for 4 hours. The solvent was removed under reduced pressure to afford a crude product of 0.690 g. The crude material was purified by flash chromatography (Biotage Isolera 4, 50 g cartridge) with a gradient of methanol 0-10% in Dichloromethane. The solvent was removed under reduced pressure to afford 0.223 g of material which was further purified using MDAP. The solvent was removed under reduced pressure to afford 0.090 g of crude material that was dissolved in methanol and loaded onto a 5 g SCX column. The column was washed with methanol and the desired compound was eluted off using 2M ammonia in methanol. The solvent was removed under reduced pressure to afford the purified product in 0.075 g.

後処理

  1. waitThe solution was left
  2. additionthis was added to the reaction mixture
  3. waitthis was left
  4. stirringto stir under argon for a further 60 minutes
  5. customThe dichloromethane was removed under reduced pressure
  6. waitthe reaction mixture was left
  7. temperatureat reflux for 4 hours
  8. customThe solvent was removed under reduced pressure
  9. customto afford a crude product of 0.690 g
  10. customThe crude material was purified by flash chromatography (Biotage Isolera 4, 50 g cartridge) with a gradient of methanol 0-10% in Dichloromethane
  11. customThe solvent was removed under reduced pressure

出典と根拠

ORDレコード
ord-30a92d8ca92045e8995ac67972c11aaf
出典データセット
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08501946B2

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート