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 Carbonate → tert-Butyl 4-(4-phenyl-5-pyrimidin-4-yl-1H-imidazol-1-yl)piperidine-1-carboxylate

HRID 1896659
ノート
印刷プレビュー

反応式

HRID 1896659 の反応式
C(=O)([O-])[O-].[K+].[K+].[N+:7]([CH:9]([C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)S(C1C=CC(C)=CC=1)(=O)=O)#[C-:8].[N:26]1[CH:31]=[CH:30][C:29](/[CH:32]=[N:33]/[CH:34]2[CH2:39][CH2:38][N:37]([C:40]([O:42][C:43]([CH3:46])([CH3:45])[CH3:44])=[O:41])[CH2:36][CH2:35]2)=[N:28][CH:27]=1>CN(C=O)C.[OH-].[Na+]>[C:20]1([C:9]2[N:7]=[CH:8][N:33]([CH:34]3[CH2:35][CH2:36][N:37]([C:40]([O:42][C:43]([CH3:46])([CH3:45])[CH3:44])=[O:41])[CH2:38][CH2:39]3)[C:32]=2[C:29]2[CH:30]=[CH:31][N:26]=[CH:27][N:28]=2)[CH:21]=[CH:22][CH:23]=[CH:24][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

6

反応物 3

HCID 11430Potassium CarbonateHCID 10967613a-Tosylbenzyl isocyanideHCID 178452095HCID 178452095、化合物

生成物 1

HCID 58235125tert-Butyl 4-(4-phenyl-5-pyrimidin-4-yl-1H-imidazol-1-yl)piperidine-1-carboxylate

試薬・触媒・溶媒 2

HCID 6228Dimethylformamide溶媒
HCID 14798
Sodium Hydroxide
溶媒

実験手順

A mixture of potassium carbonate (107 mg, 0.774 mmol), 1-{[isocyano(phenyl)methyl]sulfonyl}-4-methylbenzene (C21, see Organic Syntheses; Wiley & Sons: New York, 2004; Collect. Vol. 10, p. 692) (0.209 g, 0.770 mmol) and tert-butyl 4-{[(1E)-pyrimidin-4-ylmethylene]amino}piperidine-1-carboxylate (C13) (582 mg, 2.00 mmol) in DMF (3 mL) was stirred for 18 hours at room temperature, then diluted with aqueous sodium hydroxide solution (1 N, 50 mL). The mixture was extracted with ethyl acetate, and the combined organic layers were washed with aqueous lithium chloride solution, dried over magnesium sulfate, filtered, and concentrated in vacuo. Purification via silica gel chromatography (Eluants: 50%, then 75% ethyl acetate in heptane) provided the product as a cream-colored solid. Yield: 267 mg, 0.658 mmol, 85%. APCI m/z 406.0 (M+1). 1H NMR (400 MHz, CDCl3) δ 1.49 (s, 9H), 1.82-1.92 (m, 2H), 2.17 (br d, J=12 Hz, 2H), 2.77-2.86 (m, 2H), 4.26-4.34 (m, 2H), 4.93 (tt, J=12, 4 Hz, 1H), 7.20 (dd, J=5.3, 1.5 Hz, 1H), 7.32-7.36 (m, 3H), 7.42-7.45 (m, 2H), 7.80 (s, 1H), 8.54 (d, J=5.3 Hz, 1H), 9.28 (d, J=1.3 Hz, 1H).

後処理

  1. extractionThe mixture was extracted with ethyl acetate
  2. washthe combined organic layers were washed with aqueous lithium chloride solution
  3. dry with materialdried over magnesium sulfate
  4. filtrationfiltered
  5. concentrationconcentrated in vacuo
  6. customPurification via silica gel chromatography (Eluants

出典と根拠

ORDレコード
ord-afac969710454af3b6d7664660e88be0
出典データセット
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08518944B2

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