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

Dimethylformamide → HCID 68513610、化合物

HRID 1868493
ノート
印刷プレビュー

反応式

HRID 1868493 の反応式
[N:1]1([CH:7]2[CH2:11][NH:10][CH2:9][CH:8]2[OH:12])[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.[Cl:13][C:14]1[CH:22]=[CH:21][C:17]([C:18](Cl)=[O:19])=[CH:16][CH:15]=1.C(N([CH:29]([CH3:31])[CH3:30])CC)(C)C.CN([CH:35]=[O:36])C>CN(C1C=CN=CC=1)C>[Cl:13][C:14]1[CH:22]=[CH:21][C:17]([C:18]([N:4]2[CH2:3][CH2:2][N:1]([CH:7]3[CH:8]([OH:12])[CH2:9][N:10]([C:35]([C:30]4[CH:29]=[CH:31][C:14]([Cl:13])=[CH:15][CH:16]=4)=[O:36])[CH2:11]3)[CH2:6][CH2:5]2)=[O:19])=[CH:16][CH:15]=1
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 4

HCID 6228DimethylformamideHCID 85014-Chlorobenzoyl chlorideHCID 81531DiisopropylethylamineHCID 63701856HCID 63701856、化合物

生成物 1

HCID 68513610HCID 68513610、化合物

試薬・触媒・溶媒 1

HCID 142844-(Dimethylamino)pyridine触媒

実験手順

3,4-Epoxypyrrolidine carbamate Wang resin (0.15 g, 0.18 mmol) was placed in a glass reaction vessel (4 mL). LiClO4 (57 mg, 3 eq.), N-Boc piperazine (186 mg, 5.5 eq.) and acetonitrile (2 mL) were added. The glass reactor was closed with a screw cap and the reaction mixture was heated at 80° C. for 43 h. The resin was transferred into syringes and washed with acetonitrile: H2O (1:1, 2×), DMF (3×), MeOH (3×), DMF (3×), and CH2Cl2 (5×). The BOC group was removed by treating the resin with 10% methyl sulfide in TFA (2 mL) for 1 hour. This solution was saved and later combined with a cleavage solution. The product was further cleaved from resin by shaking with a solution of TFA:CH2Cl2:H2O (2 mL of 70:30:1.5) for 2.5 h (2×). All the solutions were combined and condensed to afford 170 mg of crude 4-piperazin-1-yl-pyrrolidin-3-ol (bistrifluoroacetate salt, used without purification). The crude 4-piperazin-1-yl-pyrrolidin-3-ol was dissolved in DMF (dry, 2 mL). To this solution was added 4-chloro-benzoyl chloride (46 μL, 0.36 mmol), diisopropyl ethyl amine (620 μL, 3.6 mmol), and DMAP (2 mg). The solution was stirred at RT for 30 minutes, and then separated by preparative LC-MS to yield 16-mg of the title compound as the trifluoroacetate salt. ESIMS ([M+H]+): 448.3 (100).

後処理

  1. customseparated by preparative LC-MS

出典と根拠

ORDレコード
ord-92e0bffbf1784c3c8a2382e1375a7da5
出典データセット
uspto-grants-2009_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07635698B2

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