HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 414088, compound → 3-Benzyl 1-methyl 4-(4-(dibutylcarbamoyl)-1-(3-(4-methylpiperazin-1-yl)propyl)-1H-imidazol-2-yl)isophthalate
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | HCID 414088 | HCID 414088 | — |
| Reactant | HCID 178449065 | HCID 178449065 | — |
| Product | 3-Benzyl 1-methyl 4-(4-(dibutylcarbamoyl)-1-(3-(4-methylpiperazin-1-yl)propyl)-1H-imidazol-2-yl)isophthalate | HCID 86718940 | 71.2% |
Reaction Steps
Following a procedure analogous to that for the synthesis of Intermediate 271F, 3-benzyl 1-methyl 4-(4-(dibutylcarbamoyl)-1H-imidazol-2-yl)isophthalate (200 mg, 0.40 mmol) and 1-(3-bromopropyl)-4-methylpiperazine (112 mg, 0.81 mmol) were converted to the title compound (180 mg, 70%). 1H NMR (CD3OD) δ 8.67 (d, J=2.0 Hz, 1H), 8.33 (dd, J=8.0, 1.6 Hz, 1H), 7.69 (d, J=8.0 Hz, 1H), 7.62 (s, 1H), 7.38-7.30 (m, 5H), 5.21 (s, 2H), 4.00 (s, 3H), 3.82-3.78 (m, 4H), 3.50 (br s, 2H), 2.35-2.12 (m, 13H), 1.71-1.64 (m, 6H), 1.41-1.27 (m, 4H), 1.00-0.87 (m, 6H); MS(ESI+) m/z 632.4 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09346795B2 |
| Source dataset | uspto-grants-2016_05 |
| ORD ID | ord-a1586b56624d4062894832177948489b |
| Source note | uspto-grants-2016_05 |