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

Triethylamine → HCID 66836019、化合物

HRID 2404484
ノート
印刷プレビュー

反応式

HRID 2404484 の反応式
[NH:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[CH:10]([O:19][CH:20]1[CH2:25][CH2:24][N:23]([CH3:26])[CH2:22][CH2:21]1)[C:11]1[CH:12]=[C:13]([CH2:17]O)[CH:14]=[CH:15][CH:16]=1.C(N(CC)CC)C.[CH3:34][S:35](Cl)(=O)=O.C[S-].[Na+]>ClCCl.O.CO>[CH3:26][N:23]1[CH2:24][CH2:25][CH:20]([O:19][CH:10]([C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([CH2:17][S:35][CH3:34])[CH:12]=2)[C:2]2[NH:3][C:4]3[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=3[N:1]=2)[CH2:21][CH2:22]1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

8

反応物 4

HCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 4378561Sodium methanethiolateHCID 66835730HCID 66835730、化合物

生成物 1

HCID 66836019HCID 66836019、化合物

試薬・触媒・溶媒 3

HCID 887Methanol溶媒
HCID 962
Water
溶媒
HCID 6344Dichloromethane溶媒

反応条件

温度
0 °C

実験手順

To a solution of {3-[(1H-benzimidazol-2-yl)(1-methylpiperidin-4-yloxy)methyl]phenyl}methanol (example 528B, 320 mg) in dichloromethane (3 mL) is added triethylamine (0.16 mL). The reaction mixture is cooled to 0° C., and methanesulfonyl chloride (84 μL) is added dropwise. The reaction mixture is stirred at room temperature for 3 h, then cooled to 0° C. and sodium thiomethoxide (191 mg) is added. After one night at room temperature, methanol (2 mL) is added to help solubilizing the suspension. The reaction mixture is stirred at room temperature overnight. Water is added and the aqueous phase is extracted by dichloromethane. The organic phase is washed by water, then dried over magnesium sulfate and concentrated. The residue is purified by chromatography on silica gel (gradient dichloromethane/methanol/ammonia from 90/10/0 to 90/10/0.1 then 80/20/0.1), followed by a purification by preparative thin-layer chromatography (dichloromethane/methanol/ammonia from 90/10/0.1) to give 2-[(1-methylpiperidin-4-yloxy)(3-methylsulfanylmethylphenyl)methyl]-1H-benzimidazole. MS, [M+H]+=382.1;

後処理

  1. temperaturecooled to 0° C.
  2. waitAfter one night at room temperature
  3. stirringThe reaction mixture is stirred at room temperature overnight
  4. extractionthe aqueous phase is extracted by dichloromethane
  5. washThe organic phase is washed by water
  6. dry with materialdried over magnesium sulfate
  7. concentrationconcentrated
  8. customThe residue is purified by chromatography on silica gel (gradient dichloromethane/methanol/ammonia from 90/10/0 to 90/10/0.1
  9. custom80/20/0.1), followed by a purification by preparative thin-layer chromatography (dichloromethane/methanol/ammonia from 90/10/0.1)

出典と根拠

ORDレコード
ord-cb398f25cda24adbb99f979f0377c731
出典データセット
uspto-grants-2014_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08802664B2

反応ノート

読み込み中…

このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート