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

Potassium Hydroxide → HCID 178480853、化合物

HRID 861067
ノート
印刷プレビュー

反応式

HRID 861067 の反応式
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[NH:12][N:11]=[C:10]([C:13]([N:15]3[CH2:20][CH2:19][N:18]([C:21](OC(C)(C)C)=O)[CH2:17][CH2:16]3)=O)[C:9]=2[C:28]2[CH:33]=[CH:32][N:31]=[CH:30][CH:29]=2)=[CH:4][CH:3]=1.[OH-].[K+].CO.C(OCC)(=O)C.[NH4+].[OH-]>O1CCCC1.[H-].[H-].[H-].[H-].[Li+].[Al+3].O.C(OCC)(=O)C>[F:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[NH:12][N:11]=[C:10]([CH2:13][N:15]3[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]3)[C:9]=2[C:28]2[CH:29]=[CH:30][N:31]=[CH:32][CH:33]=2)=[CH:6][CH:7]=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 3

HCID 14797Potassium HydroxideHCID 21901312Ethyl acetate methanol ammonium hydroxideHCID 178452358HCID 178452358、化合物

生成物 1

HCID 178480853HCID 178480853、化合物収率 50.1%

試薬・触媒・溶媒 4

HCID 962Water溶媒HCID 8028Tetrahydrofuran
溶媒
2 回
HCID 8857Ethyl Acetate溶媒
HCID 21226445Aluminium lithium hydride溶媒2 回

実験手順

To a suspension of 1,1-dimethylethyl 4-[[5-(4-fluorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl]carbonyl]-1-piperazinecarboxylate (0.451 g, 1.0 mL) in dry tetrahydrofuran (8 mL), 1.0N LiAlH4 in tetrahydrofuran (2.5 mL, 2.5 mmol) was added dropwise at such a rate as to maintain reflux over 15 minutes. Upon the addition, the suspension became a clear light yellow solution, which was kept boiling for an additional 1.5 hours. Excess LiAlH4 was decomposed by cautious addition of a solution of KOH (0.5611 g, 10.0 mmol) in water (3.5 mL). Upon hydrolysis, a white salt precipitated. After the addition was completed, the mixture was heated to reflux for 1 hour. The hot solution was filtered by suction through a buchner funnel. Any remaining product was extracted from the precipitate by ref luxing with tetrahydrofuran (10 mL) for 1 hour, followed again by suction filtration. The combined filtrates were concentrated under reduced pressure to give a crude residue, which was then diluted with ethyl acetate and washed with water and brine. The organic layer was dried over MgSO4. After filtration, the solvent was removed under reduced pressure, and a crude product was obtained. The desired product 1-[[5-(4-fluorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl]methyl]-4-methylpiperazine (0.1509 g, 50.1%) was obtained by chromatography (silica gel, 70:30:1 methanol/ethyl acetate/NH4OH). Anal. Calc'd for C20H22N5F.0.6H2O: C, 66.32; H, 6.46; N, 19.33; Found: C, 66.31; H, 5.96; N, 18.83. MS (MH+): 352 (base peak).

後処理

  1. additionwas added dropwise at such a rate as
  2. temperatureto maintain
  3. temperaturereflux over 15 minutes
  4. additionUpon the addition
  5. customUpon hydrolysis
  6. customa white salt precipitated
  7. additionAfter the addition
  8. temperaturethe mixture was heated
  9. temperatureto reflux for 1 hour
  10. filtrationThe hot solution was filtered by suction through a buchner funnel
  11. extractionAny remaining product was extracted from the precipitate by ref luxing with tetrahydrofuran (10 mL) for 1 hour
  12. filtrationfollowed again by suction filtration
  13. concentrationThe combined filtrates were concentrated under reduced pressure
  14. customto give a crude residue, which
  15. washwashed with water and brine
  16. dry with materialThe organic layer was dried over MgSO4
  17. filtrationAfter filtration
  18. customthe solvent was removed under reduced pressure
  19. customa crude product was obtained

出典と根拠

ORDレコード
ord-8702f26cb5a64585bfaacd57078a2b0e
出典データセット
uspto-grants-2006_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07153959B2

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