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

Phosgene → HCID 10218444、化合物

HRID 1824447
ノート
印刷プレビュー

反応式

HRID 1824447 の反応式
[NH2:1][C:2]1[N:3]([C:11]2[CH:16]=[CH:15][C:14]([CH3:17])=[CH:13][CH:12]=2)[N:4]=[C:5]([C:7]([CH3:10])([CH3:9])[CH3:8])[CH:6]=1.C([O-])(O)=O.[Na+].C(Cl)(Cl)=O.[N-]=C=O.C(C1C=C(N[C:41]([NH:43][C:44]2[C:53]3[C:48](=[CH:49][CH:50]=[CH:51][CH:52]=3)[C:47]([O:54][C:55]3[CH:60]=[CH:59][N:58]=[C:57]([NH:61][CH2:62][CH:63]4[CH2:65][CH2:64]4)[N:56]=3)=[CH:46][CH:45]=2)=[O:42])N(C)N=1)(C)(C)C>C(Cl)Cl.C1(C)C=CC=CC=1.C1COCC1>[C:7]([C:5]1[CH:6]=[C:2]([NH:1][C:41]([NH:43][C:44]2[C:53]3[C:48](=[CH:49][CH:50]=[CH:51][CH:52]=3)[C:47]([O:54][C:55]3[CH:60]=[CH:59][N:58]=[C:57]([NH:61][CH2:62][CH:63]4[CH2:65][CH2:64]4)[N:56]=3)=[CH:46][CH:45]=2)=[O:42])[N:3]([C:11]2[CH:12]=[CH:13][C:14]([CH3:17])=[CH:15][CH:16]=2)[N:4]=1)([CH3:10])([CH3:9])[CH3:8]
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

9

反応物 5

HCID 6371PhosgeneHCID 105034IsocyanateHCID 516892Sodium BicarbonateHCID 29741323-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amineHCID 22147192HCID 22147192、化合物

生成物 1

HCID 10218444HCID 10218444、化合物収率 40%

試薬・触媒・溶媒 3

HCID 1140Toluene溶媒2 回HCID 6344Dichloromethane溶媒HCID 8028Tetrahydrofuran溶媒

反応条件

温度
0 °C

実験手順

3-Amino-5-tert-butyl-2-(p-tolyl)-2H-pyrazole (2.39 g, 9.00 mmol, 1 equiv.) was dissolved in 35 mL methylene chloride and 35 mL saturated aqueous NaHCO3 was added. The biphasic mixture was stirred until all solids had completely dissolved and was then cooled to 0° C. The organic layer was then treated with phosgene in one portion via syringe while not stirring (15.8 mL of a 20% solution toluene, 31.5 mmol, 3.5 equiv.). The resulting mixture was stirred vigorously at 0° C. for 1 h. The organic layer was separated, dried (Na2SO4) and filtered. The methylene chloride was removed in vacuo and the resulting isocyanate in toluene was treated with a solution of aminonaphthyl-chloropyrimidyl ether intermediate (see Example 4) (2.45 g, 9.0 mmol, 1.0 equiv.) in 40 mL anhydrous THF. The mixture was stirred at room temperature for 3.5 h, then the solvent was removed in vacuo. The residue was purified by column chromatography on silica gel using 0–10% MeOH in methylene chloride eluent mixtures, followed by recrystallization from ether, providing 1.90 g (40%) of the urea intermediate.

後処理

  1. dissolutionhad completely dissolved
  2. stirringThe resulting mixture was stirred vigorously at 0° C. for 1 h
  3. customThe organic layer was separated
  4. dry with materialdried (Na2SO4)
  5. filtrationfiltered
  6. customThe methylene chloride was removed in vacuo
  7. stirringThe mixture was stirred at room temperature for 3.5 h
  8. customthe solvent was removed in vacuo
  9. customThe residue was purified by column chromatography on silica gel using 0–10% MeOH in methylene chloride eluent mixtures
  10. customfollowed by recrystallization from ether

出典と根拠

ORDレコード
ord-8af70fdf728d4e61b923bd1cea7bdff6
出典データセット
uspto-grants-2006_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07041669B2

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