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

Trifluoroacetic acid → 3-(2,4-Dichloro-phenyl)-1,1,1-trifluoro-2-(5-fluoro-1H-indol-3-yl)-butan-2-ol

HRID 1097945
ノート
印刷プレビュー

反応式

HRID 1097945 の反応式
C(OC([N:8]1[C:16]2[C:11](=[CH:12][C:13]([F:17])=[CH:14][CH:15]=2)[C:10]([C:18](=[O:29])[CH:19]([C:21]2[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][C:22]=2[Cl:28])[CH3:20])=[CH:9]1)=O)(C)(C)C.[F:30][C:31]([F:36])([F:35])C(O)=O.C([O-])([O-])=O.[Na+].[Na+]>O1CCCC1.CCCC[N+](CCCC)(CCCC)CCCC.C1C=CC([Si-](F)(F)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[Cl:28][C:22]1[CH:23]=[C:24]([Cl:27])[CH:25]=[CH:26][C:21]=1[CH:19]([CH3:20])[C:18]([C:10]1[C:11]2[C:16](=[CH:15][CH:14]=[C:13]([F:17])[CH:12]=2)[NH:8][CH:9]=1)([OH:29])[C:31]([F:36])([F:35])[F:30]
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 3

HCID 6422Trifluoroacetic acidHCID 10340Sodium CarbonateHCID 668131573-[2-(2,4-Dichloro-phenyl)-propionyl]-5-fluoro-indole-1-carboxylic acid tert-butyl ester

生成物 1

HCID 574213033-(2,4-Dichloro-phenyl)-1,1,1-trifluoro-2-(5-fluoro-1H-indol-3-yl)-butan-2-ol収率 23.7%

試薬・触媒・溶媒 2

HCID 9893474
Tetrabutylammonium Difluorotriphenylsilicate
触媒
HCID 8028Tetrahydrofuran溶媒

実験手順

To a solution of crude 3-[2-(2,4-dichloro-phenyl)-propionyl]-5-fluoro-indole-1-carboxylic acid tert-butyl ester (81 mg) in tetrahydrofuran (0.8 ml) (trifluoromethyl)-trimethylsilane (2M in tetrahydrofuran, 0.23 ml) and tetrabutylammonium difluorotriphenylsilicate (20 mg) were added at 0° C. After being stirred at rt for 3 h, trifluoroacetic acid (127 mg) was added at 0° C. and stirred overnight. No deprotection was observed, so the mixture was neutralized with aq. 2M Na2CO3 solution and extracted with EtOAc. The combined organic layers were washed with water and dried over MgSO4. After evaporation of the solvent, the residue was dissolved in CH2Cl2 (0.8 mL) and trifluoroacetic acid was added at 0° C. After being stirred for 1 h at 0° C. and at room temperature for 8 h, the reaction mixture was poured into ice water, neutralized with aq. 2M Na2CO3 solution and extracted with CH2Cl2. The organic phase was washed with water and aq. sat. NaCl solution, and dried over MgSO4. MS: silylated product still present, the crude product was dissolved in 0.5 mL tetrahydrofuran and a solution of tetrabutylammonium fluoride (1M in tetrahydrofuran) was added at 0° C. After being stirred at room temperature for 1.5 h, the reaction mixture was poured into water, and extracted with EtOAc. The combined organic layers were washed with water and aq. sat. NaCl, and dried over MgSO4. The product was purified by preparative TLC (cyclohexane/EtOAc 2:1) to give 17.9 mg of the title product as colorless oil. MS (m/e, ISP neg. ion )=404.4 [M−H+].

後処理

  1. stirringstirred overnight
  2. extractionextracted with EtOAc
  3. washThe combined organic layers were washed with water
  4. dry with materialdried over MgSO4
  5. customAfter evaporation of the solvent
  6. dissolutionthe residue was dissolved in CH2Cl2 (0.8 mL)
  7. additiontrifluoroacetic acid was added at 0° C
  8. stirringAfter being stirred for 1 h at 0° C. and at room temperature for 8 h
  9. additionthe reaction mixture was poured into ice water
  10. extractionextracted with CH2Cl2
  11. washThe organic phase was washed with water and aq. sat. NaCl solution
  12. dry with materialdried over MgSO4
  13. dissolutionMS: silylated product still present, the crude product was dissolved in 0.5 mL tetrahydrofuran
  14. additiona solution of tetrabutylammonium fluoride (1M in tetrahydrofuran) was added at 0° C
  15. stirringAfter being stirred at room temperature for 1.5 h
  16. additionthe reaction mixture was poured into water
  17. extractionextracted with EtOAc
  18. washThe combined organic layers were washed with water and aq. sat. NaCl
  19. dry with materialdried over MgSO4
  20. customThe product was purified by preparative TLC (cyclohexane/EtOAc 2:1)

出典と根拠

ORDレコード
ord-1b639ee174e242ad8a03fec4dc2ab565
出典データセット
uspto-grants-2012_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08143280B2

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