HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 725133Generated: October 31, 2026
Sodium hydride → Ethyl 2-{[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]amino}-3-nitrobenzoate
https://huagongshe.com/reaction/725133
Participants
| Role | Name | HCID | Charge |
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| Reactant | Sodium hydride | HCID 24758 | — |
| Reactant | 4'-(Bromomethyl)-2-cyanobiphenyl | HCID 1501912 | — |
| Reactant | Ethyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate | HCID 12018930 | — |
| Catalyst | Potassium Iodide | HCID 4875 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Solvent | Trifluoroacetic acid | HCID 6422 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | Ethyl 2-{[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]amino}-3-nitrobenzoate | HCID 12018931 | 85.4% |
Reaction Steps
To a solution of ethyl 2-t-butoxycarbonylamino-3-nitrobenzoate (20 g) in tetrahydrofuran (50 ml) was added, while stirring under ice-cooling, sodium hydride (60% dispersion in mineral oil, 2.8 g). The mixture was stirred at room temperature for 20 minutes and to the mixture were then added 4-(2-cyanophenyl)benzyl bromide (18 g) and potassium iodide (360 mg), followed by heating for 10 hours under reflux. The solvent was evaporated to dryness and the residue was partitioned between water (250 ml) and ether (200 ml). The organic layer was washed with water, dried and concentrated to give a yellow syrup. The syrup was dissolved in a mixture of trifluoroacetic acid (60 ml) and methylene chloride (40 ml) and the solution was stirred for one hour at room temperature. The reaction mixture was concentrated to dryness and to the residue was added ethyl ether (200 ml) to give crystals. The crystals were collected by filtration, washed with ether to give pale yellow crystals (22.1 g, 85%), m.p. 118°-119° C.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US05705517 |
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| Source dataset | uspto-grants-1998_01 |
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| ORD ID | ord-210c8865b6bb438e97bfd22e3c5eb621 |
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| Source note | uspto-grants-1998_01 |
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