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

S-methyl chlorothioformate → (3-chloro-pyrazin-2-ylmethyl)-thiocarbamic acid S-methyl ester

HRID 449010
ノート
印刷プレビュー

反応式

HRID 449010 の反応式
Cl.[Cl:2][C:3]1[C:4]([CH2:9][NH2:10])=[N:5][CH:6]=[CH:7][N:8]=1.C(N(CC)C(C)C)(C)C.[C:20](=[O:24])(Cl)[S:21][CH3:22]>C(Cl)Cl>[CH3:22][S:21][C:20](=[O:24])[NH:10][CH2:9][C:4]1[C:3]([Cl:2])=[N:8][CH:7]=[CH:6][N:5]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 17772S-methyl chlorothioformateHCID 81531DiisopropylethylamineHCID 42614233(3-Chloropyrazin-2-yl)methanamine hydrochloride

生成物 1

HCID 59130384(3-chloro-pyrazin-2-ylmethyl)-thiocarbamic acid S-methyl ester収率 71%

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒2 回

実験手順

To a suspension of C-(3-chloro-pyrazin-2-yl)-methylamine hydrochloride salt (5.13 g, 0.0285 mol) in DCM (60 mL) were added N,N-diisopropylethylamine (15 mL, 0.085 mol) and carbonochloridothioic acid, S-methyl ester (3.15 g, 0.0285 mol) at 0° C. 5 min later, the mixture was warmed to rt and kept at rt overnight. The mixture was diluted with DCM (50 mL), washed with water (30 mL), sat. aq. NaHCO3 (2×30 mL), brine (30 mL), and dried over anhydrous sodium sulfate. The crude product was purified by silica gel chromatography (Hex EtOAc=70:30→50:50) to give the title compound as a light-yellow solid, 4.4 g, 71% yield. 1H NMR (CDCl3, 400 MHz) δ 2.41 (s, 3H), 4.76 (d, J=4.6 Hz, 2H), 6.67 (br s, 1H), 8.34 (d, J=2.5 Hz, 1H), 8.48 (d, J=2.5 Hz, 1H).

後処理

  1. washwashed with water (30 mL), sat. aq. NaHCO3 (2×30 mL), brine (30 mL)
  2. dry with materialdried over anhydrous sodium sulfate
  3. customThe crude product was purified by silica gel chromatography (Hex EtOAc=70:30→50:50)

出典と根拠

ORDレコード
ord-37aade162fb049079b7b4381c47997fc
出典データセット
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08481733B2

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