HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Amino-4-methylpiperazine → HCID 57955547, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1-Amino-4-methylpiperazine | HCID 81349 | — |
| 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 | 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)-3-methoxybenzoic acid | HCID 25252905 | — |
| Product | HCID 57955547 | HCID 57955547 | — |
Reaction Steps
The title compound was synthesized 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)-3-methoxybenzoic acid as described in the General procedure for amide bond synthesis using HATU and 4-methylpiperazin-1-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 1.59-1.64 (m, 4H) 1.67-1.75 (m, 2H) 1.89-1.97 (m, 2H) 2.79 (d, J=4.6 Hz, 3H) 3.11-3.30 (m, 6H) 3.32 (s, 3H) 3.44 (d, J=12.6 Hz, 2H) 3.93 (s, 3H) 4.09 (t, J=13.9 Hz, 2H) 4.76-4.81 (m, 1H) 7.46 (d, J=8.3 Hz, 1H) 7.48 (s, 3H) 8.24 (d, J=8.34 Hz, 1H) 8.27 (s, 1H) 9.79 (s, 1H). Melting point: 168-174° C. [M+H] calc'd for C26H34F2N8O3, 545. found 545.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08026234B2 |
| Source dataset | uspto-grants-2011_09 |
| ORD ID | ord-2ac3d2e2bea84627936b2530452e84a4 |
| Source note | uspto-grants-2011_09 |