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

Sodium Acetate → HCID 178428323、化合物

HRID 2046974
ノート
印刷プレビュー

反応式

HRID 2046974 の反応式
[C:1]([C:4]1[C:5](Cl)=[N:6][C:7]([NH:23][C:24]2[C:29]([O:30][CH:31]([CH3:33])[CH3:32])=[CH:28][C:27]([CH:34]3[CH2:39][CH2:38][N:37](C(OC(C)(C)C)=O)[CH2:36][CH2:35]3)=[C:26]([CH3:47])[CH:25]=2)=[N:8][C:9]=1[NH:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[S:17]([CH:20]([CH3:22])[CH3:21])(=[O:19])=[O:18])(=O)[CH3:2].[Cl-].[Cl-].[NH2:51][NH2:52].C([O-])(=O)C.[Na+]>CCO>[CH:31]([O:30][C:29]1[CH:28]=[C:27]([CH:34]2[CH2:39][CH2:38][NH:37][CH2:36][CH2:35]2)[C:26]([CH3:47])=[CH:25][C:24]=1[NH:23][C:7]1[N:6]=[C:5]2[NH:51][N:52]=[C:1]([CH3:2])[C:4]2=[C:9]([NH:10][C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=2[S:17]([CH:20]([CH3:22])[CH3:21])(=[O:18])=[O:19])[N:8]=1)([CH3:32])[CH3:33]
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

5

反応物 3

HCID 517045Sodium AcetateHCID 19367920Hydrazine dichlorideHCID 58290910Tert-butyl 4-(4-(5-acetyl-4-chloro-6-(2-(isopropylsulfonyl)phenylamino)pyrimidin-2-ylamino)-5-isopropoxy-2-methylphenyl)piperidine-1-carboxylate

生成物 1

HCID 178428323HCID 178428323、化合物

試薬・触媒・溶媒 1

HCID 702Ethanol溶媒

反応条件

温度
80 °C

実験手順

To a solution of tert-butyl 4-(4-(5-acetyl-4-chloro-6-(2-(isopropylsulfonyl)phenylamino)pyrimidin-2-ylamino)-5-isopropoxy-2-methylphenyl)piperidine-1-carboxylate (81 mg, 0.12 mmol) in EtOH (2 mL) was added hydrazine dichloride (36 mg, 0.34 mmoL) and sodium acetate (47 mg, 0.57 mmol) sequentially, and the reaction mixture was heated at 80° C. overnight. The reaction was cooled to room temperature and concentrated in vacuo. The crude was dissolved in the solution of TFA (2 mL) in DCM (2 mL), and the reaction was stirred for 30 min, followed by concentration and purification by RP-HPLC to afford N6-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine. MS (ES+): 578.3 (MH+).

後処理

  1. temperatureThe reaction was cooled to room temperature
  2. concentrationconcentrated in vacuo
  3. dissolutionThe crude was dissolved in the solution of TFA (2 mL) in DCM (2 mL)
  4. concentrationfollowed by concentration and purification by RP-HPLC

出典と根拠

ORDレコード
ord-53625d08c8584cac9026e13fafd081dd
出典データセット
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08592432B2

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