HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-((4-chlorophenyl)((3,7-dimethylbenzo[d]isoxazol-5-yl)amino)methyl)-1-(2,4-dimethoxypyrimidin-5-yl)-5-isopropyl-1H-pyrazole-3-carboxylic acid → 4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(3,7-dimethylbenzo[d]-isoxazol-5-yl)-3-isopropyl-4,5-dihydropyrrolo-[3,4-c]pyrazol-6(2H)-one
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-((4-chlorophenyl)((3,7-dimethylbenzo[d]isoxazol-5-yl)amino)methyl)-1-(2,4-dimethoxypyrimidin-5-yl)-5-isopropyl-1H-pyrazole-3-carboxylic acid | HCID 117702827 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | 4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(3,7-dimethylbenzo[d]-isoxazol-5-yl)-3-isopropyl-4,5-dihydropyrrolo-[3,4-c]pyrazol-6(2H)-one | HCID 86294691 | — |
Reaction Steps
The title compound was prepared in analogy to the procedure described in Example 1 using 4-((4-chlorophenyl)((3,7-dimethylbenzo[d]isoxazol-5-yl)amino)methyl)-1-(2,4-dimethoxypyrimidin-5-yl)-5-isopropyl-1H-pyrazole-3-carboxylic acid (Step 46.13). tR: 1.25 min (LC-MS 2); ESI-MS: 559 [M+H]+ (LC-MS 2); Rf=0.50 (EtOAc); 1H NMR (400 MHz, DMSO-d6) δ ppm 0.48 (d, J=6.8 Hz, 3H) 1.17 (d, J=6.7 Hz, 3H) 2.45 (s, 3H) 2.52 (s, 3H) 2.61-2.71 (m, 1H) 3.96 (s, 3H) 4.01 (s, 3H) 6.69 (s, 1H) 7.33-7.42 (m, 4H) 7.67 (s, 1H) 7.84 (d, J=1.5 Hz, 1H) 8.64 (s, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08975417B2 |
| Source dataset | uspto-grants-2015_03 |
| ORD ID | ord-003433ef692141ac86c5f20218d320d4 |
| Source note | uspto-grants-2015_03 |