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Trifluoroacetic acid → HCID 178443922、化合物
関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|---|---|---|
| 反応物 | Trifluoroacetic acid | HCID 6422 | — |
| 反応物 | 4-Methylmorpholine | HCID 7972 | — |
| 反応物 | (R)-(-)-2-propyloctanoic acid | HCID 208925 | — |
| 反応物 | 1400w Dihydrochloride | HCID 2733515 | — |
| 反応物 | Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 9886157 | — |
| 溶媒 | Methanol | HCID 887 | — |
| 溶媒 | Dimethylformamide | HCID 6228 | — |
| 生成物 | HCID 178443922 | HCID 178443922 | — |
反応手順
(R)-2-propyloctanoic acid (100 mg, 0.48 mmol) was dissolved in 1 mL DMF. HATU (201 mg, 0.53 mmol) and NMM (192 μL, 1.73 mmol) were added and the solution was stirred for 5 min. 1400-W (94 mg, 0.528 mmol) was added and the solution was stirred for 2 h at rt. The reaction was quenched with TFA (142 μL, 1.87 mmol) TFA and MeOH (1 mL) and purified by preparative HPLC (5% to 100%, ACN/water) to give the product (Example 6) as a white solid. 1H-NMR (500 MHz, DMSO-d6) δ 9.80 (s, 1H), 9.22 (s, 1H), 8.76 (s, 1H), 8.37 (t, 1H), 7.34-7.37 (m, 1H), 7.22-7.29 (m, 3H), 4.47 (d, 2H), 4.42 (d, 2H), 2.18-2.24 (m, 4H), 1.46-1.50 (m, 2H), 1.20-1.31 (m, 12H), 0.84-0.87 (m, 6H). MS (ESI) 346 (M+H).
情報源と証拠
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 特許番号 | US07495029B2 |
| 出典データセット | uspto-grants-2009_02 |
| ORD ID | ord-3ad9fb4353394988a2eef5df19168acc |
| 出典メモ | uspto-grants-2009_02 |