HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-6-fluorophenylisothiocyanate → HCID 178496997, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-Chloro-6-fluorophenylisothiocyanate | HCID 26599140 | — |
| Reactant | Methyl 4,5-diamino-2-hydroxybenzoate | HCID 67504371 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | HCID 178496997 | HCID 178496997 | 39.6% |
Reaction Steps
The title compound was prepared following the procedure described for step-2 of intermediate-55 using methyl 4,5-diamino-2-hydroxybenzoate (step-1 of Intermediate-55, 0.700 g, 3.840 mmol), acetonitrile (5.0 mL), 1-chloro-3-fluoro-2-isothiocyanatobenzene (Intermediate-14, 0.700 g, 3.760 mmol) and N,N-di-isopropyl carbodimide (1.0 mL) to afford 0.5 g of the desired product. 1HNMR (DMSO-d6): δ 3.87 (s, 3H), 6.61 (s, 1H), 7.29-7.46 (m, 4H), 10.62 (s, 1H); MS [M+H]+: 336.17.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08519149B2 |
| Source dataset | uspto-grants-2013_08 |
| ORD ID | ord-188f8b8f93154021a882f39cc43e8ec6 |
| Source note | uspto-grants-2013_08 |