化工社化工社 化学情報印刷レポート · 研究参考用
HRID 62073作成日:2026年10月23日
3,5-Dimethylaniline → 1-(3,5-dimethylphenyl)-3-(3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)propyl)urea
https://huagongshe.com/ja/reaction/62073
関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|
| 反応物 | 3,5-Dimethylaniline | HCID 7949 | — |
| 反応物 | Cesium carbonate | HCID 10796 | — |
| 反応物 | Triphosgene | HCID 94429 | — |
| 反応物 | Isocyanate | HCID 105034 | — |
| 反応物 | Sodium Bicarbonate | HCID 516892 | — |
| 反応物 | 3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)propan-1-amine | HCID 90404268 | — |
| 溶媒 | Dichloromethane | HCID 6344 | — |
| 生成物 | 1-(3,5-dimethylphenyl)-3-(3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)propyl)urea | HCID 118675054 | — |
反応手順
To 3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)propan-1-amine (1 equiv) and sodium bicarbonate (5 equiv) in an appropriate reaction vessel may be added a solvent such as dichloromethane (at a concentration between about 0.01 M to about 1 M). The reaction may be placed in an ice bath and triphosgene (0.4 equiv) can be added in one portion. The reaction may be monitored by LC/MS to observe formation of the isocyanate, upon which the reaction may be diluted with dichloromethane, filtered through a phase separator, and concentrated. The residue may be suspended in a solvent such as acetonitrile (0.1 M to about 1 M), followed by addition of 3,5-dimethylaniline (1.0-1.5 equiv) and cesium carbonate (1.0-1.5 equiv). Following completion of the reaction, the product may be obtained using standard organic chemistry techniques of workup and purification.
情報源と証拠
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| 特許番号 | US09445594B2 |
|---|
| 出典データセット | uspto-grants-2016_09 |
|---|
| ORD ID | ord-9350c550cd144124824bfd8f59bdfe70 |
|---|
| 出典メモ | uspto-grants-2016_09 |
|---|