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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 1881006생성일: 2026년 10월 26일

3-Fluoro-4-(4-methylpiperazin-1-yl)aniline → 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-2-fluoro-N-(3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)-5-methoxybenzamide

https://huagongshe.com/reaction/1881006

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참여 물질

역할이름HCID투입량
반응물3-Fluoro-4-(4-methylpiperazin-1-yl)anilineHCID 2783055—
반응물4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxybenzoic acidHCID 25253679—
생성물4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-2-fluoro-N-(3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)-5-methoxybenzamideHCID 57955609—

반응 단계

The title compound was prepared in a manner analogous to compound 149 from 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxybenzoic acid and 3-fluoro-4-(4-methylpiperazin-1-yl)aniline with yield 70 mg (53%). 1H NMR (400 MHz, DMSO-d6) δ ppm 1.42-1.73 (m, 6 H) 1.86-2.06 (m, 2 H) 2.22 (s, 3 H) 2.35-2.49 (m, 4 H) 2.97 (br. s., 4 H) 3.94 (s, 3 H) 4.09 (t, J=13.89 Hz, 2 H) 4.82 (t, J=7.83 Hz, 1 H) 7.01 (t, J=9.35 Hz, 1 H) 7.26 (d, J=6.82 Hz, 1 H) 7.32-7.45 (m, 1 H) 7.63 (dd, J=15.03, 1.89 Hz, 1 H) 8.10 (s, 1 H) 8.19-8.46 (m, 2 H) 10.16 (s, 1 H). [M+H] calc'd for C32H36F4N8O3, 657; found 657.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08318727B2
출처 데이터셋uspto-grants-2012_11
ORD IDord-70afa0b4ec8b4e2aa37a10bc62ea124f
출처 메모uspto-grants-2012_11