HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Isocyanato-2-phenylbenzene → HCID 66616621, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1-Isocyanato-2-phenylbenzene | HCID 222280 | — |
| Reactant | 3,5-Dichloro-N-((4'-fluorobiphenyl-4-yl)methyl)-2-hydroxy-N-(3-((isobutyl amino)methyl)benzyl)benzene sulfonamide | HCID 58531377 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | HCID 66616621 | HCID 66616621 | 60% |
Reaction Steps
To a solution of 3,5-dichloro-N-((4′-fluorobiphenyl-4-yl)methyl)-2-hydroxy-N-(3-((isobutyl amino)methyl)benzyl)benzene sulfonamide (Compound E of Example 184, 0.04 g, 0.0667 mmol, 1.0 eq) in a 5 mL of THF at 0° C. was added 2-biphenyl isocyanate (0.013 g, 0.0667 mmol, 1.0 eq). The reaction mixture was stirred at ambient temperature for 15 min and concentrated to remove the volatiles. The residue was purified by preparative HPLC to afford the title compound (0.03 g, 60%). 1H NMR (400 MHz, DMSO-d6) δ 0.66-0.68 (d, 6H), 1.7 (m, 1H), 2.82-2.84 (d, 2H), 4.30 (s, 2H), 4.43 (d, 4H), 6.84-6.89 (t, 2H), 6.99 (d, 1H), 7.14-7.20 (m, 4H), 7.23 (m, 4H), 7.25-7.34 (m, 5H), 7.44-7.46 (d, 3H), 7.57-7.62 (m, 4H), 7.80 (s, 1H). MS (HD: 796.1 (M−H)−.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08501992B2 |
| Source dataset | uspto-grants-2013_08 |
| ORD ID | ord-24c3c44e96364961a127ae233d04d79d |
| Source note | uspto-grants-2013_08 |