HuagongsheHuagongshe Chemistry Print Report · For research reference only
Trifluoroacetic acid → Trifluoroacetic acid
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | Benzene, 1-chloro-3-isocyanato- | HCID 17968 | — |
| Reactant | HCID 25105969 | HCID 25105969 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | Trifluoroacetic acid | HCID 6422 | 17.3% |
| Product | HCID 25106032 | HCID 25106032 | — |
Reaction Steps
To a stirred solution of Example 1 (10 mg, 0.038 mmol) in 1.0 mL of CH3CN was added 3-chloro-phenyl isocyanate (6.4 mg, 0.046 mmol) and triethylamine (8 μL, 0.057 mmol). The resulting mixture was stirred for over night at room temperature. The resulting mixture was purified by reverse phase HPLC (C-18 column, eluting with a 5-100% CH3CN gradient in 0.1% trifluoroacetic acid) to the title compound as its trifluoroacetic acid salt (3.5 mg, 17.3% yield). MS (ESI) m/z 416, 418 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08076344B2 |
| Source dataset | uspto-grants-2011_12 |
| ORD ID | ord-6c31a3ee987a49778ddee354820c9dd8 |
| Source note | uspto-grants-2011_12 |