HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → HCID 25253070, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| 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 | 1-Methylazetidin-3-amine dihydrochloride | HCID 44784901 | — |
| Reactant | HCID 67117825 | HCID 67117825 | — |
| Product | HCID 25253070 | HCID 25253070 | — |
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 1-methylazetidin-3-amine bis-hydrochloride. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.48-2.10 (m, 8 H) 2.32 (br. s., 3 H) 3.08 (t, J=6.82 Hz, 2 H) 3.29 (br. s., 3 H) 3.62 (t, J=6.95 Hz, 2 H) 3.82 (m, 2 H) 3.94 (br. s., 3 H) 4.44 (m, 1 H) 4.88 (m, 1 H) 5.38 (d, J=12.13 Hz, 2 H) 5.99 (m, 1 H) 7.50 (br. s., 2 H) 7.84 (br. s., 1 H) 8.13 (br. s., 1 H)) 8.31 (d, J=8.0 Hz, 1 H) 8.65 (d, J=7.83 Hz, 1 H). [M+H] calculated for C27H34FN7O3, 524; found 524.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08318727B2 |
| Source dataset | uspto-grants-2012_11 |
| ORD ID | ord-608d8cfb9ea24a8e82190354c8f7eee7 |
| Source note | uspto-grants-2012_11 |