HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2281060Generated: November 2, 2026
Sodium methanethiolate → HCID 70978427, compound
https://huagongshe.com/reaction/2281060
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Sodium methanethiolate | HCID 4378561 | — |
| Reactant | HCID 70978654 | HCID 70978654 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 70978427 | HCID 70978427 | — |
Reaction Steps
To a solution of 1-{4-[4-bromo-1-(cyclopropylmethyl)-1H-benzotriazol-5-yl]-2-fluorobenzyl}-3-methylimidazolidine-2,4-dione (10 mg, 0.021 mmol) in DMF (0.18 mL) was added sodium thiomethoxide (5.6 mg, 0.080 mmol, 4 equiv.). The mixture was stirred at 120° C. for 3.5 hours, cooled to ambient temperature and diluted with dichloromethane, which was washed with water and brine. The organic extract was dried with magnesium sulfate, filtered and concentrated in vacuo. The residue was purified via silica gel chromatography (ethyl acetate/hexane gradient), providing the titled compound: 1H NMR (400 MHz, CDCl3) 7.39-7.45 (m, 2H), 7.34 (d, 1H, J=8.4 Hz), 7.18-7.24 (m, 2H), 4.70 (s, 2H), 4.53 (d, 2H, J=7.1 Hz), 3.90 (s, 2H), 3.06 (s, 3H), 2.85 (s, 3H), 1.40-1.46 (m, 1H), 0.67-0.71 (m, 2H), 0.50-0.54 (m, 2H) ppm. LRMS m/z (M+H) 440.2 found, 440.1 required.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09139576B2 |
|---|
| Source dataset | uspto-grants-2015_09 |
|---|
| ORD ID | ord-e48b59e95aa34abc885e8d053f4071ea |
|---|
| Source note | uspto-grants-2015_09 |
|---|