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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 2092755생성일: 2026년 10월 26일

Water → Methyl 6-((1R,2S)-2-(tert-butoxycarbonylamino)cyclohexylamino)-4-cyano-2-(4-fluoro-3-methylphenylamino)nicotinate

https://huagongshe.com/reaction/2092755

반응식

참여 물질

역할이름HCID투입량
반응물WaterHCID 962—
반응물TriethylamineHCID 8471—
반응물(1S,2R)-Cyclohexane-1,2-diamine, N1-BOC protectedHCID 1514389—
반응물Methyl 6-chloro-4-cyano-2-(4-fluoro-3-methylphenylamino)nicotinateHCID 58317541—
용매TetrahydrofuranHCID 8028—
용매Ethyl AcetateHCID 8857—
생성물Methyl 6-((1R,2S)-2-(tert-butoxycarbonylamino)cyclohexylamino)-4-cyano-2-(4-fluoro-3-methylphenylamino)nicotinateHCID 6723793712.4%

반응 조건

온도80 °C

반응 단계

A mixture of methyl 6-chloro-4-cyano-2-(4-fluoro-3-methylphenylamino)nicotinate (390 mg, 1.220 mmol), Et3N (0.204 mL, 1.464 mmol) and tert-butyl (1S,2R)-2-aminocyclohexylcarbamate (392 mg, 1.830 mmol) in THF (5 mL) was stirred at 80° C. overnight. Water and EtOAc were subsequently added to the mixture and the aqueous phase was extracted with EtOAc. The organic phases were combined, washed with H2O and brine, dried over MgSO4, and evaporated. The residue was diluted with EtOAc and filtered to give the title compound as a yellow solid (75 mg, 12.36%). 1H NMR (500 MHz, DMSO-d6) δ ppm 1.03-1.71 (m, 17H), 2.22 (d, J=0.98 Hz, 3H), 3.80-3.82 (m, 3H), 3.83 (br s, 1H), 4.01-4.09 (m, 1H), 6.48 (s, 1H), 6.62 (d, J=7.81 Hz, 1H), 7.06 (t, J=9.03, 1H), 7.39 (d, J=4.39 Hz, 1H), 7.50-7.68 (m, 1H), 10.41 (br s, 1H).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08440689B2
출처 데이터셋uspto-grants-2013_05
ORD IDord-17d1eb55aab74e47896f15f6395603d6
출처 메모uspto-grants-2013_05