HuagongsheHuagongshe Chemistry Print Report · For research reference only
Water → HCID 66919038, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Water | HCID 962 | — |
| Reactant | 1-Isopropylpiperazine | HCID 78013 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | HCID 52693948 | HCID 52693948 | — |
| Solvent | Dimethyl Sulfoxide | HCID 679 | — |
| Product | HCID 66919038 | HCID 66919038 | 100.9% |
Reaction Steps
To a solution of methyl 3-[(5-fluoro-2-nitrobenzoyl)amino]-4-methylbenzoate (8 g) in DMSO (24 ml) was added N-isopropylpiperazine (3.4 g) and N,N-diisopropylethylamine (4.7 ml) and the reaction stirred at room temperature for 6 hours. Water (200 ml) was added and the resultant solid collected by filtration, washed with water (×3) and dried in vacuo at 50° C. for 16 hours to yield methyl 4-methyl-3-{[5-(4-isopropylpiperazin-1-yl)-2-nitrobenzoyl]amino}benzoate as a yellow solid (10.7 g); NMR Spectrum: (DMSOd6) 0.99 (d, 6H), 2.34 (s, 3H), 2.55 (m, 4H), 2.71 (m, 1H), 3.50 (m, 4H), 3.85 (s, 3H), 7.07 (m, 2H), 7.39 (d, 1H), 7.71 (m, 1H), 8.06 (d, 1H), 8.20 (m, 1H), 9.96 (s, 1H); Mass Spectrum: M+H+ 441.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07696215B2 |
| Source dataset | uspto-grants-2010_04 |
| ORD ID | ord-251ceb7c61124478a38cc2be471fb171 |
| Source note | uspto-grants-2010_04 |