HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,3-Dichloro-2-isothiocyanatobenzene → HCID 178496988, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1,3-Dichloro-2-isothiocyanatobenzene | HCID 123239 | — |
| Reactant | Methyl 4,5-diamino-2-hydroxybenzoate | HCID 67504371 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | HCID 178496988 | HCID 178496988 | 52.2% |
Reaction Steps
To a solution of methyl 4,5-diamino-2-hydroxybenzoate (0.500 g, 2.74 mmol) in acetonitrile (15.0 mL) was added 1,3-dichloro-2-isothiocyanatobenzene (Intermediate-5, 0.550 g, 2.72 mmol). The reaction mass was stirred at RT for 24 h and N,N-di-isopropyl carbodimide (1.0 mL) was added to it. The reaction mass stirred at RT for 4-6 h. The reaction mass was cooled and filtered to afford 0.500 g of the desired product. 1HNMR (DMSO-d6): δ 3.86 (s, 3H), 6.56 (s, 1H), 7.22 (t, J=7.8 Hz, 1H), 7.38 (s, 1H), 7.52 (d, J=7.8 Hz, 2H), 10.49-10.64 (s, 3H); MS [M+H]+: 352.08.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08519149B2 |
| Source dataset | uspto-grants-2013_08 |
| ORD ID | ord-496fd3abfc944aa1ba959930318e0580 |
| Source note | uspto-grants-2013_08 |