HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Ethoxyaniline → 5-[(2S)-2-({(2S)-2-[(tert-Butoxycarbonyl)amino]-3-phenylpropanoyl}amino)-3-oxo-3-(phenethylamino)propyl]-2-(carboxymethoxy)benzoic Acid
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-Ethoxyaniline | HCID 9076 | — |
| Reactant | (2S)-2-({(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoyl}amino)-3-[3-(methoxycarbonyl)-4-(2-methoxy-2-oxoethoxy)phenyl]propanoic acid | HCID 57019224 | — |
| Product | 5-[(2S)-2-({(2S)-2-[(tert-Butoxycarbonyl)amino]-3-phenylpropanoyl}amino)-3-oxo-3-(phenethylamino)propyl]-2-(carboxymethoxy)benzoic Acid | HCID 70161010 | — |
Reaction Steps
Synthesis was performed performed from (2S)-2-({(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoyl}amino)-3-[3-(methoxycarbonyl)-4-(2-methoxy-2-oxoethoxy)phenyl]propanoic acid and phenetylamine (38 uL) according to Method A to give the title compound (57 mg). 1H-NMR (400 MHz, CD3OD) d 7.76 (s, 1H), 7.36 (dd, J=1.9 Hz, J=8.3 Hz, 1H), 7.28-7.15 (m, 10H), 7.00 (d, J=8.7 Hz, 1H), 4.79 (s, 2H), 4.50 (t, J=6.8 Hz, 1H), ), 4.25 (dd, J=5.1 Hz, J=9.4 Hz, 1H), 3.40 (m, 1H), 3.02 (m 2H), 2.90 (dd, J=7.7 Hz, J=13.6 Hz, 1H), 1.36 (s, 9H); (KBr) 3297, 2979, 1728, 1688, 1645 cm−1; HRMS m/z 633.2660 (calc. of monoisotopic mass for C34H39N3O9 gives 633.2686).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06410585B1 |
| Source dataset | uspto-grants-2002_06 |
| ORD ID | ord-e5583423e4bb4976871de7978717cb87 |
| Source note | uspto-grants-2002_06 |