HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Fluorobenzoyl isothiocyanate → HCID 178501176, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-Fluorobenzoyl isothiocyanate | HCID 249089 | — |
| Reactant | HCID 178501202 | HCID 178501202 | — |
| Product | HCID 178501176 | HCID 178501176 | 55.3% |
| Product | HCID 178501187 | HCID 178501187 | — |
Reaction Steps
The title compound was prepared from cis-methyl 4-(5-amino-2-(2-(piperidin-1-yl)ethoxy)pyridin-4-ylamino)cyclohexanecarboxylate and 4-fluorobenzoyl isothiocyanate using a method analogous to the preparation of cis-methyl 4-((E)-2-(benzoylimino)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)cyclohexanecarboxylate (100 mg, 55.3% yield). MS m/z=524.2 [M+H]. Calc'd for C28H34FN5O4: 523.3. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.19-1.30 (m, 2H) 1.34-1.45 (m, 2H) 1.46-1.60 (m, 4H) 1.66-1.91 (m, 5H) 2.17-2.27 (m, 2H) 2.35-2.49 (m, 3H) 2.53-2.62 (m, 2H) 2.78-2.90 (m, 1H) 3.75 (s, 3H) 4.29-4.46 (m, 2H) 4.55-4.70 (m, 1H) 6.94 (s, 1H) 7.23-7.36 (m, 2H) 8.19-8.31 (m, 3H) 12.70 (s, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09115127B2 |
| Source dataset | uspto-grants-2015_08 |
| ORD ID | ord-15b2a1fb6b144e4b9d1a6573d0ca5eb7 |
| Source note | uspto-grants-2015_08 |