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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1889684Generated: October 31, 2026

1-Isocyanato-2-phenylbenzene → HCID 66616621, compound

https://huagongshe.com/reaction/1889684

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1-Isocyanato-2-phenylbenzeneHCID 222280—
Reactant3,5-Dichloro-N-((4'-fluorobiphenyl-4-yl)methyl)-2-hydroxy-N-(3-((isobutyl amino)methyl)benzyl)benzene sulfonamideHCID 58531377—
SolventTetrahydrofuranHCID 8028—
ProductHCID 66616621HCID 6661662160%

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08501992B2
Source datasetuspto-grants-2013_08
ORD IDord-24c3c44e96364961a127ae233d04d79d
Source noteuspto-grants-2013_08