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-5-methoxy-N-(4-(4-methylpiperazin-1-yl)phenyl)benzamide

참여 물질

역할	이름	HCID	투입량
반응물	4-(4-Methylpiperazin-1-yl)aniline	HCID 737253	—
반응물	4-(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 acid	HCID 25253679	—
생성물	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-methoxy-N-(4-(4-methylpiperazin-1-yl)phenyl)benzamide	HCID 57955607	—

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 4-(4-methylpiperazin-1-yl)aniline with yield 82 mg (53%). 1H NMR (400 MHz, DMSO-d6) δ ppm 1.61 (br. s., 4 H) 1.73 (br. s., 2 H) 1.99 (br. s., 2 H) 2.22 (s, 3 H) 2.45 (br. s., 4 H) 3.09 (br. s., 4 H) 3.94 (s, 3 H) 4.08 (t, J=13.89 Hz, 2 H) 4.84 (br. s., 1 H) 6.91 (d, J=8.84 Hz, 2 H) 7.26 (d, J=6.32 Hz, 1 H) 7.56 (d, J=8.59 Hz, 2 H) 8.08 (s, 1 H) 8.18-8.41 (m, 2 H) 9.91 (br. s., 1 H). [M+H] calc'd for C32H37F3N8O3, 639; found 639.

출처 및 근거

DOI	10.6084/m9.figshare.5104873.v1
특허 번호	US08318727B2
출처 데이터셋	uspto-grants-2012_11
ORD ID	ord-f1d8547200314a0c82e0ff061d31c0ec
출처 메모	uspto-grants-2012_11