HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Amino-1-methylpiperidine → 4-(9-cyclopentyl-7-fluoro-5-methyl-6-oxo-7-vinyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-Amino-1-methylpiperidine | HCID 2737531 | — |
| Reactant | Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 9886157 | — |
| Reactant | HCID 67117825 | HCID 67117825 | — |
| Product | 4-(9-cyclopentyl-7-fluoro-5-methyl-6-oxo-7-vinyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide | HCID 25253069 | — |
Reaction Steps
The title compound was synthesized from 4-(9-cyclohexyl-7-fluoro-7-vinyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid as described in the General procedure for amide bond synthesis using HATU and 4-amino 1-N-methyl piperidine. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.53-1.86 (m, 8H) 1.93 (t, J=10.86 Hz, 4H) 2.16 (s, 3H) 2.78 (d, J=11.12 Hz, 2H) 3.28 (s, 3H) 3.65-3.83 (m, 4H) 3.93 (s, 3H) 4.88 (m, 1H) 5.38 (d, J=11.87 Hz, 2H) 6.01 (m, 1H) 7.48 (d, J=8.0 Hz, 1H), 7.49 (br. s., 1H) 7.82 (s, 1H) 8.12 (s, 1H) 8.12 (d, J=7.83 Hz, 1H) 8.30 (d, J=8.0 Hz, 1H). [M+H] calculated for C29H38FN7O3, 552. found 552.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08026234B2 |
| Source dataset | uspto-grants-2011_09 |
| ORD ID | ord-d6e6635d3c284607821795e737ad943c |
| Source note | uspto-grants-2011_09 |