HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Chlorophenyl Isocyanate → (2R,4R)-4-{[1-(4-Chloro-phenylcarbamoyl)-4-methoxy-pyrrolidine-2-carbonyl]-amino}-benzoic acid methyl ester
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-Chlorophenyl Isocyanate | HCID 7693 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | (2R,4R)-4-[(4-Methoxy-pyrrolidine-2-carbonyl)-amino]-benzoic acid methyl ester | HCID 68815558 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | (2R,4R)-4-{[1-(4-Chloro-phenylcarbamoyl)-4-methoxy-pyrrolidine-2-carbonyl]-amino}-benzoic acid methyl ester | HCID 68807390 | 94% |
Reaction Steps
Into a solution of 8 (9.19 g, 33.0 mmol) in anhydrous THF (200 mL) at 0° C. was added N,N-diisopropylethylamine (DIEA) (28.7 mL, 165 mmol) and 4-chlorophenyl isocyanate (5.07 g, 33.0 mmol). The solution was stirred at RT overnight before concentrating under reduced pressure. The crude material was purified on a silica gel column eluted with 10% moving to 50% EtOAc in hexanes. Combined and concentrated pure fractions. Remaining EtOAc was azeotroped off with acetonitrile and was lyophilized from acetonitrile/water to give 9 (13.37 g, 94%) as a solid. MS: APCI (AP+): 432.1 (M)+, (AP−): 430.1 (M)−.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07407974B2 |
| Source dataset | uspto-grants-2008_08 |
| ORD ID | ord-6b55ab01d7394030a9d63560b1dbe686 |
| Source note | uspto-grants-2008_08 |