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

Diphosgene → 1-(4-(2-(2-Aminopyridin-4-yl)propan-2-yloxy)naphthalen-1-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea

HRID 2069048
ノート
印刷プレビュー

反応式

HRID 2069048 の反応式
[C:1]([C:5]1[CH:9]=[C:8]([NH2:10])[N:7]([C:11]2[CH:16]=[CH:15][C:14]([CH3:17])=[CH:13][CH:12]=2)[N:6]=1)([CH3:4])([CH3:3])[CH3:2].[C:18]([O-:21])(O)=O.[Na+].ClC(OC(Cl)=O)(Cl)Cl.[NH2:31][C:32]1[C:41]2[C:36](=[CH:37][CH:38]=[CH:39][CH:40]=2)[C:35]([O:42][C:43]([C:46]2[CH:51]=[CH:50][N:49]=[C:48]([NH2:52])[CH:47]=2)([CH3:45])[CH3:44])=[CH:34][CH:33]=1.CCN(C(C)C)C(C)C>C(Cl)Cl.C1COCC1.CCOC(C)=O.O>[NH2:52][C:48]1[CH:47]=[C:46]([C:43]([O:42][C:35]2[C:36]3[C:41](=[CH:40][CH:39]=[CH:38][CH:37]=3)[C:32]([NH:31][C:18]([NH:10][C:8]3[N:7]([C:11]4[CH:12]=[CH:13][C:14]([CH3:17])=[CH:15][CH:16]=4)[N:6]=[C:5]([C:1]([CH3:4])([CH3:3])[CH3:2])[CH:9]=3)=[O:21])=[CH:33][CH:34]=2)([CH3:45])[CH3:44])[CH:51]=[CH:50][N:49]=1
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

10

反応物 5

HCID 10426DiphosgeneHCID 81531DiisopropylethylamineHCID 516892Sodium BicarbonateHCID 29741323-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amineHCID 672351724-(2-(4-Aminonaphthalen-1-yloxy)propan-2-yl)pyridin-2-amine

生成物 1

HCID 58532533
1-(4-(2-(2-Aminopyridin-4-yl)propan-2-yloxy)naphthalen-1-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
収率 51%

試薬・触媒・溶媒 4

HCID 962Water溶媒HCID 6344Dichloromethane溶媒HCID 8028Tetrahydrofuran溶媒HCID 8857Ethyl Acetate溶媒

反応条件

温度
0 °C

実験手順

To a solution of 3-tert-butyl-1-p-tolyl-1H-pyrazol-5-amine (5) (447 mg, 1.75 mmol) in DCM (40 mL) was added saturated aq NaHCO3 solution (27 mL). The mixture was stirred vigorously and was cooled to 0° C. and then trichloromethylchloroformate (0.63 mL, 5.25 mmol) was added in one portion. The resulting mixture was stirred at 0° C. for 1.5 hr. The biphasic mixture was separated and the organic layer was dried (MgSO4) and evaporated in vacuo. The oily residue which was taken up in THF (15 mL) and was added to a solution of 4-(2-(4-aminonaphthalen-1-yloxy)propan-2-yl)pyridin-2-amine (42) (253 mg, 0.86 mmol) in THF (2.0 mL). Neat DIPEA (451 μL, 2.59 mmol) was added and the reaction mixture was stirred at RT for 2 hr. Water (30 mL) and EtOAc (20 mL) were added and the layers were separated. The aqueous layer was extracted with EtOAc (3×15 mL) and the combined organic layers were washed with brine (40 mL), dried (MgSO4), and evaporated in vacuo. The residue was purified by flash column chromatography (SiO2, 40 g, 0-10% MeOH in DCM, gradient elution) to afford the title compound (Interm. H) (249 mg, 51%) as a purple amorphous solid: m/z 549 (M+H)+ (ES+).

後処理

  1. stirringThe resulting mixture was stirred at 0° C. for 1.5 hr
  2. customThe biphasic mixture was separated
  3. dry with materialthe organic layer was dried (MgSO4)
  4. customevaporated in vacuo
  5. stirringthe reaction mixture was stirred at RT for 2 hr
  6. customthe layers were separated
  7. extractionThe aqueous layer was extracted with EtOAc (3×15 mL)
  8. washthe combined organic layers were washed with brine (40 mL)
  9. dry with materialdried (MgSO4)
  10. customevaporated in vacuo
  11. customThe residue was purified by flash column chromatography (SiO2, 40 g, 0-10% MeOH in DCM, gradient elution)

出典と根拠

ORDレコード
ord-50987054e31d4940882e0452a75594db
出典データセット
uspto-grants-2012_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08299073B2

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