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

Carbamate → (3-Cyano-5-methoxy-phenyl)-carbamic acid 4-cyclopropanesulfonylaminocarbonyl-13-methyl-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.0*4,6*]octadec-7-en-17-yl ester

HRID 390119
ノート
印刷プレビュー

反応式

HRID 390119 の反応式
[OH:1][CH:2]1[CH2:19][CH:18]2[CH:4]([C:5](=[O:31])[N:6]([CH3:30])[CH2:7][CH2:8][CH2:9][CH2:10][CH:11]=[CH:12][CH:13]3[C:15]([C:21]([NH:23][S:24]([CH:27]4[CH2:29][CH2:28]4)(=[O:26])=[O:25])=[O:22])([NH:16][C:17]2=[O:20])[CH2:14]3)[CH2:3]1.[C:32](=[O:35])(O)[O-].[Na+].C(Cl)(Cl)=O.[NH2:41][C:42]1[CH:43]=[C:44]([CH:47]=[C:48]([O:50][CH3:51])[CH:49]=1)[C:45]#[N:46].C(=O)([O-])[O-].[K+].[K+].C(=O)([O-])N>ClCCCl.C1(C)C=CC=CC=1.C(Cl)Cl.CO>[CH:27]1([S:24]([NH:23][C:21]([C:15]23[CH2:14][CH:13]2[CH:12]=[CH:11][CH2:10][CH2:9][CH2:8][CH2:7][N:6]([CH3:30])[C:5](=[O:31])[CH:4]2[CH:18]([CH2:19][CH:2]([O:1][C:32](=[O:35])[NH:41][C:42]4[CH:49]=[C:48]([O:50][CH3:51])[CH:47]=[C:44]([C:45]#[N:46])[CH:43]=4)[CH2:3]2)[C:17](=[O:20])[NH:16]3)=[O:22])(=[O:26])=[O:25])[CH2:28][CH2:29]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

11

反応物 6

HCID 276CarbamateHCID 6371PhosgeneHCID 11430Potassium CarbonateHCID 516892Sodium BicarbonateHCID 107731223-Amino-5-methoxybenzonitrileHCID 72539645Cyclopropanesulphonic acid (17-hydroxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.0*4,6*]octadec-7-ene-4-carbonyl)-amide

生成物 1

HCID 68707550
(3-Cyano-5-methoxy-phenyl)-carbamic acid 4-cyclopropanesulfonylaminocarbonyl-13-methyl-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.0*4,6*]octadec-7-en-17-yl ester
収率 8%

試薬・触媒・溶媒 4

HCID 111,2-Dichloroethane溶媒2 回HCID 887Methanol溶媒HCID 1140Toluene溶媒HCID 6344Dichloromethane溶媒2 回

反応条件

温度
100 °C

実験手順

The alcohol 1h (15 mg) was dissolved in dry DCE and 20 mg of sodium bicarbonate was added, followed by 2 ml of a phosgene solution in toluene (20%). The reaction mixture was stirred at room temperature for 3 h (full conversion to chloroimidate according to LC-MS) and then concentrated by rotary evaporation and dried from excess of phosgene in high vacuum (1.5 h). The dry reaction mixture was transferred into a “microwave” vial (2-5 ml), mixed with dry DCE (3 ml), 3-amino-5-methoxy-benzonitrile (2 eq), potassium carbonate (9 mg, 1.5 eq), pulverized molecular sieves (4 Å, 5 mg) and heated in a microwave at 100° C. for 45 min. The reaction mixture was passed through short pad of silica (eluent DCM, then 10% methanol in DCM). The resulting fractions containing the desired carbamate compound were combined, concentrated by rotary evaporation and purified by column chromatography on YMC silica (15 g, ethyl acetate/petroleum ether 1:3 to remove excess of aniline, followed by dichloromethane and then 2% methanol in dichloromethane) to give the title compound as a powder (15 mg, 8%), [M+H]+ 628.

後処理

  1. concentrationconcentrated by rotary evaporation
  2. dry with materialdried from excess of phosgene in high vacuum (1.5 h)
  3. customThe dry reaction mixture
  4. concentrationconcentrated by rotary evaporation
  5. custompurified by column chromatography on YMC silica (15 g, ethyl acetate/petroleum ether 1:3
  6. customto remove excess of aniline

出典と根拠

ORDレコード
ord-e67d8b929c5944748804c4dfdaee9da3
出典データセット
uspto-grants-2013_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08383584B2

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