Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 45119생성일: 2026년 10월 24일
Trifluoroacetic acid → (+/-)-5-[6-(3-Carbamoyl-pyrrolidin-1-ylmethyl)-pyrimidin-4-yloxy]-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide
https://huagongshe.com/ko/reaction/45119
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Trifluoroacetic acid | HCID 6422 | — |
| 반응물 | Diisopropylethylamine | HCID 81531 | — |
| 반응물 | Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate | HCID 4571096 | — |
| 반응물 | methanesulfonic acid 6-[1-(3-trifluoromethyl-phenylcarbamoyl)-1H-indol-5-yloxy]-pyrimidin-4-ylmethyl ester | HCID 46224264 | — |
| 용매 | Dichloromethane | HCID 6344 | — |
| 생성물 | (+/-)-5-[6-(3-Carbamoyl-pyrrolidin-1-ylmethyl)-pyrimidin-4-yloxy]-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide | HCID 59394341 | — |
반응 단계
3-Carbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester (0.22 g, 1.03 mmol) is dissolved in DCM (5 mL). TFA (2 mL, 26.0 mmol) is added and the reaction is allowed to stir at rt overnight. The solvent is removed in vacuo and THF (5.0 mL) is added followed by methanesulfonic acid 6-[1-(3-trifluoromethyl-phenylcarbamoyl)-1H-indol-5-yloxy]-pyrimidin-4-ylmethyl ester (0.347 g, 0.685 mmol) and DIEA (0.60 mL, 3.42 mmol). The reaction is heated at 60° C. for 19 h. The solvent is removed in vacuo and the residue separated by FCC (0-15%, 10% NH3MeOH/DCM) to provide (±)-5-[6-(3-carbamoyl-pyrrolidin-1-ylmethyl)-pyrimidin-4-yloxy]-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide. MS (ESI) m/z 524.9 (M+1); 1H NMR (400 MHz, DMSO-d6) δ ppm 10.41 (s, 1 H), 8.72 (s, 1 H), 8.30 (d, J=8.84 Hz, 1 H), 8.14 (d, J=3.79 Hz, 1 H), 8.10 (s, 1 H), 7.97 (s, 1 H), 7.65 (t, J=8.08 Hz, 1 H), 7.51 (d, J=2.53 Hz, 2 H), 7.16 (dd, J=8.84, 2.27 Hz, 1 H), 7.12 (s, 1 H), 6.81 (d, J=3.54 Hz, 1 H), 3.63 (br. S., 1 H), 3.14 (d, J=7.33 Hz, 1 H), 2.94 (br. S., 1 H), 1.99 (br. S., 1 H), 1.25 (d, J=6.06 Hz, 6 H).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US08541432B2 |
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| 출처 데이터셋 | uspto-grants-2013_09 |
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| ORD ID | ord-e048ac108dfa4805950486e50206c101 |
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| 출처 메모 | uspto-grants-2013_09 |
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