Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-Amino-1-methylpiperidine → 3-Chloro-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)-N-(1-methylpiperidin-4-yl)benzamide
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | 4-Amino-1-methylpiperidine | HCID 2737531 | — |
| 반응물 | Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 9886157 | — |
| 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)-3-chlorobenzoic acid | HCID 67117844 | — |
| 생성물 | 3-Chloro-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)-N-(1-methylpiperidin-4-yl)benzamide | HCID 25253526 | — |
반응 단계
The title compound was synthesized from 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)-3-chlorobenzoic acid as described in the General procedure for amide bond synthesis using HATU and 1-methylpiperidin-4-amine. The final compound was purified by reverse phase HPLC and basified to give the free base 1H NMR (400 MHz, DMSO-d6) δ ppm 1.44-1.77 (m, 15 H) 2.23 (s, 3 H) 2.84 (m, 2 H) 3.96-4.07 (t, J=12 Hz, 2 H) 4.66 (m, 1 H) 7.80 (dd, J=8.5, 1.9 Hz, 1 H) 8.00 (d, J=1.8 Hz, 1 H) 8.08 (d, J=8.6 Hz, 1 H) 8.19-8.33 (m, 2 H) 8.58 (s, 1 H). [M+H] calc'd for C26H32ClF2N7O2, 548; found 548.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US08318727B2 |
| 출처 데이터셋 | uspto-grants-2012_11 |
| ORD ID | ord-0a857a0361e040c799661935c828fba9 |
| 출처 메모 | uspto-grants-2012_11 |