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

Triethylamine → 6-[4-(4-{2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]ethoxy}phenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine

HRID 2381142
ノート
印刷プレビュー

反応式

HRID 2381142 の反応式
CS(Cl)(=O)=O.[C:6]([N:9]1[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][OH:17])[CH2:11][C@H:10]1[CH3:18])(=[O:8])[CH3:7].C(N(CC)CC)C.[F:26][C:27]([F:51])([F:50])[C:28]1[N:32]2[N:33]=[C:34]([N:37]3[CH2:42][CH2:41][CH:40]([C:43]4[CH:48]=[CH:47][C:46](O)=[CH:45][CH:44]=4)[CH2:39][CH2:38]3)[CH2:35][CH2:36][C:31]2=[N:30][N:29]=1.C(=O)([O-])[O-].[K+].[K+]>C(Cl)Cl.CN(C=O)C>[C:6]([N:9]1[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][O:17][C:46]2[CH:47]=[CH:48][C:43]([CH:40]3[CH2:39][CH2:38][N:37]([C:34]4[CH2:35][CH2:36][C:31]5[N:32]([C:28]([C:27]([F:51])([F:50])[F:26])=[N:29][N:30]=5)[N:33]=4)[CH2:42][CH2:41]3)=[CH:44][CH:45]=2)[CH2:11][C@H:10]1[CH3:18])(=[O:8])[CH3:7]
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

8

反応物 5

HCID 8471TriethylamineHCID 11430Potassium CarbonateHCID 31297Methanesulfonyl chlorideHCID 68499640(R)-2-(4-acetyl-3-methylpiperazin-1-yl)ethanolHCID 685004304-{1-[3-(Trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl}phenol

生成物 1

HCID 46892567
6-[4-(4-{2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]ethoxy}phenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine
収率 29.6%

試薬・触媒・溶媒 2

HCID 6228Dimethylformamide溶媒HCID 6344Dichloromethane溶媒2 回

反応条件

温度
0 °C

実験手順

Methanesulfonyl chloride (0.165 mL, 2.12 mmol) was added dropwise to (R)-2-(4-acetyl-3-methylpiperazin-1-yl)ethanol (360 mg, 1.94 mmol) and triethylamine (0.404 mL, 2.90 mmol) in DCM (5 mL) at 0° C. under nitrogen. The resulting solution was stirred at 0° C. for 15 minutes, warmed to room temperature and stirred for 2 hours. The reaction mixture was diluted with DCM (50 mL) and washed with water (15 mL). The organic layer was passed through a phase separating cartridge and concentrated in vacuo. The residual orange gum was dissolved in DMF (5 mL) and added to 4-{1-[3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl}phenol (obtained as described in Example 46, preparation of starting materials) (235 mg, 0.64 mmol) and potassium carbonate (445 mg, 3.22 mmol) in DMF (10 mL) at 20° C. under nitrogen. The resulting suspension was stirred at 100° C. for 3 hours and the solvent was removed in vacuo. The residue was partitioned between DCM (100 mL) and water (100 mL) and the organic phase was separated. The aqueous phase was re-extracted with DCM (100 mL), and the is combined organic phases were washed with brine (100 mL), passed through phase separating cartridge and concentrated under reduced pressure to give an orange gum. The crude product was purified by flash silica chromatography, elution gradient 0 to 10% MeOH in EtOAc. Pure fractions were evaporated to dryness to afford a pale yellow gum, which was triturated with ether to give 6-[4-(4-{2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]ethoxy}phenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine (101 mg, 29.4%) as a white solid.

後処理

  1. temperaturewarmed to room temperature
  2. stirringstirred for 2 hours
  3. washwashed with water (15 mL)
  4. customseparating cartridge
  5. concentrationconcentrated in vacuo
  6. dissolutionThe residual orange gum was dissolved in DMF (5 mL)
  7. stirringThe resulting suspension was stirred at 100° C. for 3 hours
  8. customthe solvent was removed in vacuo
  9. customThe residue was partitioned between DCM (100 mL) and water (100 mL)
  10. customthe organic phase was separated
  11. extractionThe aqueous phase was re-extracted with DCM (100 mL)
  12. washwere washed with brine (100 mL)
  13. customseparating cartridge
  14. concentrationconcentrated under reduced pressure
  15. customto give an orange gum
  16. customThe crude product was purified by flash silica chromatography, elution gradient 0 to 10% MeOH in EtOAc
  17. customPure fractions were evaporated to dryness
  18. customto afford a pale yellow gum, which
  19. customwas triturated with ether

出典と根拠

ORDレコード
ord-229b24c8c5884b6f91a01daa0de3b80d
出典データセット
uspto-grants-2012_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08258140B2

反応ノート

読み込み中…

このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート