HuagongsheHuagongshe Chemistry Print Report · For research reference only
Hydrochloric Acid → HCID 73775850, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | 4-Chlorophenyl Isocyanate | HCID 7693 | — |
| Reactant | HCID 117870769 | HCID 117870769 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | HCID 73775850 | HCID 73775850 | 67.4% |
Reaction Steps
(S)-1,1,1-Trifluoro-3-[2-(4-trifluoromethyl-phenyl)-morpholin-4-yl]-propan-2-ol (52 mg, 151 μmol) and 1-chloro-4-isocyanatobenzene (25.6 mg, 167 μmol) were combined in acetonitrile (2 mL). The mixture was stirred at room temperature overnight and evaporated. The residue was purified by flash chromatography (20% EtOAc/hexanes) to provide the front-running isomer, which was converted to the HCl salt to afford (4-chloro-phenyl)-carbamic acid (S)-2,2,2-trifluoro-1-[(R)-2-(4-trifluoromethyl-phenyl)-morpholin-4-ylmethyl]-ethyl ester hydrochloride as a white solid (30 mg). (M+H)+=497 m/e.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09353096B2 |
| Source dataset | uspto-grants-2016_05 |
| ORD ID | ord-5b594ec229374563b70d5a59c86eb164 |
| Source note | uspto-grants-2016_05 |