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

Methanol → HCID 57489647、化合物

HRID 2044096
ノート
印刷プレビュー

反応式

HRID 2044096 の反応式
[F:1][C:2]1[C:3]([C:24]2[CH2:29][CH2:28][CH2:27][C:26](=O)[CH:25]=2)=[N:4][C:5]([NH:11][C:12]2[CH:17]=[CH:16][C:15]([N:18]3[CH2:23][CH2:22][O:21][CH2:20][CH2:19]3)=[CH:14][CH:13]=2)=[C:6]([CH:10]=1)[C:7]([NH2:9])=[O:8].C([O-])(=O)C.[NH4+:35].[BH4-].[Na+].CO>CN(C=O)C.CC(C)[O-].[Ti+4].CC(C)[O-].CC(C)[O-].CC(C)[O-]>[NH2:35][CH:26]1[CH2:27][CH2:28][CH2:29][C:24]([C:3]2[C:2]([F:1])=[CH:10][C:6]([C:7]([NH2:9])=[O:8])=[C:5]([NH:11][C:12]3[CH:17]=[CH:16][C:15]([N:18]4[CH2:23][CH2:22][O:21][CH2:20][CH2:19]4)=[CH:14][CH:13]=3)[N:4]=2)=[CH:25]1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 887MethanolHCID 517165Ammonium AcetateHCID 4311764Sodium borohydrideHCID 57489644HCID 57489644、化合物

生成物 1

HCID 57489647HCID 57489647、化合物収率 8.7%

試薬・触媒・溶媒 2

HCID 11026Titanium isopropoxide触媒
HCID 6228
Dimethylformamide
溶媒

実験手順

A solution of 5-fluoro-2-(4-morpholinophenylamino)-6-(3-oxocyclohex-1-enyl)nicotinamide (1.2 g, 2.92 mmol), ammonium acetate (2.254 g, 29.2 mmol) and titanium(IV) isopropoxide (2.57 mL, 8.77 mmol) in DMF (0.8 mL) was stirred at rt overnight. To the above solution were added sodium borohydride (0.221 g, 5.85 mmol) and 0.2 mL of MeOH. Violent bubbling occurred and the reaction mixture became warm. The reaction mixture was stirred at rt for 1 h. To the reaction mixture was added 1N NaOH (10 mL). A precipitate formed and was filtered through CELITE®, washed with a mixture of methylene chloride, and MeOH (50% each cosolvent) many times until the filter cake was white. The filtrate was washed with water; the aqueous fraction was back extracted 3 times with methylene chloride. The combined organic fractions were concentrated and the residue was purified by MPLC (ISCO, 5%-20% gradient ammonia/methanol/methylene chloride, 40 g silica gel column) to yield 105 mg of product as a yellow solid.

後処理

  1. customViolent bubbling
  2. temperaturethe reaction mixture became warm
  3. additionTo the reaction mixture was added 1N NaOH (10 mL)
  4. customA precipitate formed
  5. filtrationwas filtered through CELITE®
  6. washwashed with a mixture of methylene chloride, and MeOH (50% each cosolvent) many times until the filter cake
  7. washThe filtrate was washed with water
  8. extractionthe aqueous fraction was back extracted 3 times with methylene chloride
  9. concentrationThe combined organic fractions were concentrated
  10. customthe residue was purified by MPLC (ISCO, 5%-20% gradient ammonia/methanol/methylene chloride, 40 g silica gel column)

出典と根拠

ORDレコード
ord-dc4b3d510578419f84870906be12e96c
出典データセット
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08586751B2

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