HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl iodide → 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-methoxy-N-(1-methylazepan-4-yl)benzamide
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Methyl iodide | HCID 6328 | — |
| Reactant | HCID 25253221 | HCID 25253221 | — |
| Product | 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-methoxy-N-(1-methylazepan-4-yl)benzamide | HCID 25253222 | — |
Reaction Steps
The title compound was synthesized by methylating N-(Azepan-4-yl)-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-methoxybenzamide using methyl iodide. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.58-1.93 (m, 17 H) 2.28 (br. s., 3 H) 2.33 (br. s., 1 H) 3.93 (s, 3 H) 4.05 (t, J=14.0 Hz, 3 H) 4.75 (d, J=7.1 Hz, 1 H) 7.37-7.53 (m, 2 H) 7.96 (s, 1 H) 8.15 (d, J=7.8 Hz, 1 H) 8.26 (t, J=4.0 Hz, 2 H). [M+H] calc'd for C28H37F2N7O3, 558; found 558.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08318727B2 |
| Source dataset | uspto-grants-2012_11 |
| ORD ID | ord-761707fa3d2e4185a940515c11748c70 |
| Source note | uspto-grants-2012_11 |