HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-(3-Methylpiperazin-1-yl)nicotinonitrile → 6-(3-Methyl-4-(4-(5-(2,2,2-trifluoroacetyl)thiophen-2-yl)butanoyl)piperazin-1-yl)nicotinonitrile
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 6-(3-Methylpiperazin-1-yl)nicotinonitrile | HCID 62479801 | — |
| Reactant | 4-(5-(2,2,2-Trifluoroacetyl)thiophen-2-yl)butanoic acid | HCID 67323085 | — |
| Product | 6-(3-Methyl-4-(4-(5-(2,2,2-trifluoroacetyl)thiophen-2-yl)butanoyl)piperazin-1-yl)nicotinonitrile | HCID 53327883 | 16% |
Reaction Steps
This compound was synthesized from 6-(3-methylpiperazin-1-yl)nicotinonitrile and 4-(5-(2,2,2-trifluoroacetyl)thiophen-2-yl)butanoic acid as described for example 37 step 3 (40 mg, yield 16%). 1H NMR (400 MHz, DMSO-d6, 80° C.) δ 8.45-8.44 (m, 1H), 7.98-7.96 (m, 1H), 7.82-7.79 (dd, J=9.1 Hz, 2.4 Hz, 1H), 7.20-7.19 (d, J=4.0 Hz, 1H), 6.89-6.87 (d, J=9.1 Hz, 1H), 4.45 (m, 1H), 4.20-4.14 (m, 2H), 3.98 (m, 1H), 3.39-3.34 (dd, J=13.4 Hz, 4.0 Hz, 1H), 3.27 (m, 1H), 3.17-3.11 (m, 1H), 2.99 (m, 1H), 2.89 (m, 1H), 2.46-2.36 (m, 2H), 2.01-1.94 (m, 2H), 1.11-1.09 (d, J=6.7 Hz, 3H). MS (ESI) m/z: Calculated for C21H21F3N4O2S: 450.13. found: 449.2 (M−H)−
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08981084B2 |
| Source dataset | uspto-grants-2015_03 |
| ORD ID | ord-2f26ab33a8cd4f87b0179444cf02d210 |
| Source note | uspto-grants-2015_03 |