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

Hydrochloric Acid → 4-(4-Chloro-2-fluoroanilino)-6-methoxy-7-(3(methylsulphonyl)propoxy)quinazoline hydrochloride

HRID 2227933
ノート
印刷プレビュー

反応式

HRID 2227933 の反応式
[CH3:1][S:2]([CH2:5][CH2:6][CH2:7][OH:8])(=[O:4])=[O:3].N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O.[Cl:27][C:28]1[CH:47]=[CH:46][C:31]([NH:32][C:33]2[C:42]3[C:37](=[CH:38][C:39](O)=[C:40]([O:43][CH3:44])[CH:41]=3)[N:36]=[CH:35][N:34]=2)=[C:30]([F:48])[CH:29]=1.C(P(CCCC)CCCC)CCC.Cl>C(Cl)Cl.CC(C)=O.CO.C(Cl)Cl>[ClH:27].[Cl:27][C:28]1[CH:47]=[CH:46][C:31]([NH:32][C:33]2[C:42]3[C:37](=[CH:38][C:39]([O:8][CH2:7][CH2:6][CH2:5][S:2]([CH3:1])(=[O:4])=[O:3])=[C:40]([O:43][CH3:44])[CH:41]=3)[N:36]=[CH:35][N:34]=2)=[C:30]([F:48])[CH:29]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 5

HCID 313Hydrochloric AcidHCID 13831TributylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 2004243-(Methylsulfonyl)-1-propanolHCID 1355137204-(4-Chloro-2-fluorophenylamino)-7-hydroxy-6-methoxyquinazoline

生成物 1

HCID 184747804-(4-Chloro-2-fluoroanilino)-6-methoxy-7-(3(methylsulphonyl)propoxy)quinazoline hydrochloride
収率 57.2%

試薬・触媒・溶媒 2

HCID 6344Dichloromethane溶媒HCID 21584259acetone MeOH DCM溶媒

実験手順

3-(Methylsulphonyl)propan-1-ol (0.6 g, 4.3 mmol) followed by 1,1′-(azodicarbonyl)dipiperidine (4.2 g, 16 mmol) in portions were added to a stirred solution of 4-(4-chloro-2-fluoroanilino)-7-hydroxy-6-methoxyquinazoline (1.5 g, 4.7 mmol), (prepared as described for the starting material in Example 2), and tributylphosphine (4.0 ml, 16 mmol) in methylene chloride (50 ml) under nitrogen. The mixture was stirred for 18 hours, the resulting precipitate was collected by filtration and dried to give crude product (1.36g). The solvent was removed from the filtrate by evaporation and the residue was purified by column chromatography eluting with methylene chloride/methanol (a gradient from 100/0 to 90/10). The semi-purified product was triturated with acetone and the solid product collected by filtration and dried to give further crude product (0.53 g). The filtrate from the trituration was repurified by column chromatography as before to give freer crude product (0.23 g). The crude products were combined and dissolved in acetone/methanol/methylene chloride and ethereal hydrogen chloride (6 ml of a 1M solution) added. The precipitated product was collected by filtration and recrystalilsed from methanol/methylene chloride/hexane to give 4-(4-chloro-2-fluoroanilino)-6-methoxy-7-(3(methylsulphonyl)propoxy)quinazoline hydrochloride (640 mg, 29%).

後処理

  1. custom(prepared
  2. filtrationthe resulting precipitate was collected by filtration
  3. customdried
  4. customto give crude product (1.36g)
  5. customThe solvent was removed from the filtrate by evaporation
  6. customthe residue was purified by column chromatography
  7. washeluting with methylene chloride/methanol (a gradient from 100/0 to 90/10)
  8. customThe semi-purified product was triturated with acetone
  9. filtrationthe solid product collected by filtration
  10. customdried
  11. customto give further crude product (0.53 g)
  12. customThe filtrate from the trituration was repurified by column chromatography as before
  13. customto give freer crude product (0.23 g)
  14. filtrationThe precipitated product was collected by filtration

出典と根拠

ORDレコード
ord-14d7d8f8c91f45209add801bdae94471
出典データセット
uspto-grants-2002_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06414148B1

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