HuagongsheHuagongshe Chemistry Print Report · For research reference only
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)-2-fluoro-5-methoxybenzoic acid → HCID 57955625, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 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)-2-fluoro-5-methoxybenzoic acid | HCID 25253679 | — |
| Reactant | HCID 67117850 | HCID 67117850 | — |
| Product | HCID 57955625 | HCID 57955625 | — |
Reaction Steps
The title compound was prepared in a manner analogous to compound 149 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)-2-fluoro-5-methoxybenzoic acid and 4-((4-methylpiperazin-1-yl)methyl)aniline hydrochloride with yield 48 mg (37%). 1H NMR (400 MHz, DMSO-d6) δ ppm 1.62 (br. s., 4 H) 1.73 (br. s., 2 H) 1.98 (m, 2 H) 2.14 (s, 3 H) 2.17-2.45 (m, 8 H) 3.40 (s, 2 H) 3.94 (s, 3 H) 4.09 (t, J=12 Hz, 2 H) 4.84 (t, J=8.08 Hz, 1 H) 7.16-7.37 (m, 3 H) 7.66 (d, J=8.34 Hz, 2 H) 8.10 (s, 1 H) 8.19-8.39 (m, 2 H) 10.13 (s, 1 H). [M+H] calc'd for C33H39F3N8O3, 653; found 653.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08318727B2 |
| Source dataset | uspto-grants-2012_11 |
| ORD ID | ord-162e6578b9d2422a8c58f468c841a9eb |
| Source note | uspto-grants-2012_11 |