化工社化工社 化学情報印刷レポート · 研究参考用
HRID 709488作成日:2026年10月24日
Hydrochloric Acid → 2-{3-[1-(4-Trifluoromethyl-phenyl)-ethoxycarbonylmethyl]phenylsulfanylmethyl}-benzoic acid 2,2,2-trichloro-ethyl ester
https://huagongshe.com/ja/reaction/709488
関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|
| 反応物 | Hydrochloric Acid | HCID 313 | — |
| 反応物 | 1-[4-(Trifluoromethyl)phenyl]ethan-1-ol | HCID 137186 | — |
| 反応物 | 2-(3-Carboxymethyl-phenylsulfanylmethyl)-benzoic acid 2,2,2-trichloro-ethyl ester | HCID 66864821 | — |
| 反応物 | 2-[3-(4-Trifluoromethyl-benzyloxycarbonylmethyl)-phenylsulfanylmethyl]-benzoic acid 2,2,2-trichloro-ethyl ester | HCID 86650308 | — |
| 触媒 | 4-(Dimethylamino)pyridine | HCID 14284 | — |
| 溶媒 | 1,2-Dichloroethane | HCID 11 | — |
| 溶媒 | Dichloromethane | HCID 6344 | — |
| 溶媒 | Ethyl Acetate | HCID 8857 | — |
| 溶媒 | Heptane | HCID 8900 | — |
| 生成物 | 2-{3-[1-(4-Trifluoromethyl-phenyl)-ethoxycarbonylmethyl]phenylsulfanylmethyl}-benzoic acid 2,2,2-trichloro-ethyl ester | HCID 86650311 | 67% |
反応手順
The titled compound was prepared according to the method described for 2-[3-(4-trifluoromethyl-benzyloxycarbonylmethyl)-phenylsulfanylmethyl]-benzoic acid 2,2,2-trichloro-ethyl ester above from 2-(3-carboxymethyl-phenylsulfanylmethyl)-benzoic acid 2,2,2-trichloro-ethyl ester (168 mg, 0.387 mmol), 1-(4-trifluoromethyl-phenyl)-ethanol (88 mg, 0.465 mmol), EDC×HCl (111 mg, 0.581 mmol), DMAP (4.7 mg, 0.039 mmol) and DCM (5 mL). The crude was submitted to flash chromatography using heptane and EtOAc (90/10) as eluent to yield the titled compound (157 mg, 67%) as an oil; 1H NMR (400 MHz, CDCl3): δ 1.52 (d, 3H), 3.59 (dd, 2H), 4.52 (s, 2H), 4.96 (s, 2H), 5.90 (m, 2H), 7.09-7.12 (m, 1H), 7.17-7.23 (m, 4H), 7.30-7.42 (m, 4H), 7.57 (d, 2H), 8.08 (d, 1H); Mass spectrum: M−H+ 604.
情報源と証拠
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| 特許番号 | US09181181B2 |
|---|
| 出典データセット | uspto-grants-2015_11 |
|---|
| ORD ID | ord-2de1e0b5946a425babb6d170b56ee0b0 |
|---|
| 出典メモ | uspto-grants-2015_11 |
|---|