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

Acetic Acid → 1-{1-[3-(Ethyloxy)-4-nitrophenyl]-4-piperidinyl}-4-(methylsulfonyl)piperazine

HRID 419632
ノート
印刷プレビュー

反応式

HRID 419632 の反応式
C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[CH2:15]([O:17][C:18]1[CH:19]=[C:20]([N:27]2[CH2:32][CH2:31][C:30](=O)[CH2:29][CH2:28]2)[CH:21]=[CH:22][C:23]=1[N+:24]([O-:26])=[O:25])[CH3:16].[CH3:34][S:35]([N:38]1[CH2:43][CH2:42][NH:41][CH2:40][CH2:39]1)(=[O:37])=[O:36].C(O)(=O)C.C([O-])(O)=O.[Na+]>ClCCCl>[CH2:15]([O:17][C:18]1[CH:19]=[C:20]([N:27]2[CH2:32][CH2:31][CH:30]([N:41]3[CH2:42][CH2:43][N:38]([S:35]([CH3:34])(=[O:37])=[O:36])[CH2:39][CH2:40]3)[CH2:29][CH2:28]2)[CH:21]=[CH:22][C:23]=1[N+:24]([O-:26])=[O:25])[CH3:16]
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 5

HCID 176Acetic AcidHCID 516892Sodium BicarbonateHCID 7091611-(Methylsulfonyl)piperazineHCID 5049666Sodium triacetoxyborohydrideHCID 598602691-[3-(Ethyloxy)-4-nitrophenyl]-4-piperidinone

生成物 1

HCID 594527701-{1-[3-(Ethyloxy)-4-nitrophenyl]-4-piperidinyl}-4-(methylsulfonyl)piperazine
収率 45%

試薬・触媒・溶媒 1

HCID 111,2-Dichloroethane溶媒

実験手順

Sodiumtriacetoxyborohydride (2.59 g, 12.2 mmol) was added to a stirring suspension of 1-[3-(ethyloxy)-4-nitrophenyl]-4-piperidinone (2.15 g, 8.14 mmol), 1-(methylsulfonyl)piperazine (2.67 g, 16.3 mmol), acetic acid (0.70 mL, 12.2 mmol), and TEA (1.13 mL, 8.14 mmol) in 1,2-DCE (100 mL). The reaction was stirred at rt overnight then poured into saturated NaHCO3 (aq). The layers were separated and the aqueous layer was extracted with DCM. The combined organic layers were then dried, filtered and concentrated in vacuo. The residue was purified by flash chromatography to afford 1-{1-[3-(ethyloxy)-4-nitrophenyl]-4-piperidinyl}-4-(methylsulfonyl)piperazine (1.50 g, 45%). 1H NMR (400 MHz, DMSO-d6) δ ppm 7.86 (d, J=9.4 Hz, 1H), 6.58 (dd, J=9.5, 2.4 Hz, 1H), 6.50 (d, J=2.5 Hz, 1H), 4.18 (q, J=7.0 Hz, 2H), 3.99-4.08 (m, 2H), 3.04-3.12 (m, 4H), 2.90-2.99 (m, 2H), 2.86 (s, 3H), 2.55-2.61 (m, 4H), 1.77-1.88 (m, 2H), 1.39-1.50 (m, 2H), 1.35 (t, J=6.9 Hz, 3H).

後処理

  1. customThe layers were separated
  2. extractionthe aqueous layer was extracted with DCM
  3. customThe combined organic layers were then dried
  4. filtrationfiltered
  5. concentrationconcentrated in vacuo
  6. customThe residue was purified by flash chromatography

出典と根拠

ORDレコード
ord-15236fe0f9c84245b4f57409f578489a
出典データセット
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08093239B2

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