참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Sodium Chloride | HCID 5234 | — |
| 반응물 | 4-Methylmorpholine | HCID 7972 | — |
| 반응물 | HOAt | HCID 181649 | — |
| 반응물 | 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine | HCID 47002538 | — |
| 반응물 | N-[2-(dimethylamino)ethyl]-N'-ethylcarbodiimide hydrochloride | HCID 57494384 | — |
| 반응물 | HCID 66690801 | HCID 66690801 | — |
| 용매 | Dimethylformamide | HCID 6228 | — |
| 생성물 | HCID 46916973 | HCID 46916973 | — |
반응 단계
To a solution of 7-(4-fluorophenyl)-2-isopropyl-1,3-benzoxazole-5-carboxylic acid with three equivalents of sodium chloride (8.5 mg, 16.0 μmol), R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine hydrochloride (3.35 mg, 17.0 μmol) and N-methylmorpholine (8.8 μL, 0.08 mmol) in N,N-dimethylformamide (0.16 mL) were added N-[2-(dimethylamino)ethyl]-N′-ethylcarbodiimide hydrochloride (5.35 mg, 28.0 μmol), 1-hydroxy-7-azabenzotriazole (1.09 mg, 8.0 μmol). The mixture was stirred at 50° C. for 18 h. Purification by reverse phase HPLC (C-18, 95% water/acetonitrile→5% water/acetonitrile with 0.05% ammonium hydroxide) gave the title compound (2 mg). HRMS [M+1] found=409.1662. 1H NMR (500 MHz, DMSO-d6): δ 9.23 (1H, m), 8.16 (3H, m), 7.99 (1H, s), 7.37 (2H, m), 5.44, 1H, m), 3.90 (3H, s), 3.44 (1H, m), 2.34 (3H, s), 1.65 (3H, d, J=7.11 Hz), 1.37 (6H, d, J=6.75 Hz).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US09238647B2 |
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| 출처 데이터셋 | uspto-grants-2016_01 |
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| ORD ID | ord-6122c68d3b6b4cf09fc8d7788e3190b5 |
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| 출처 메모 | uspto-grants-2016_01 |
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