HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Benzylsulfanyl)ethan-1-amine--hydrogen chloride (1/1) → HCID 70161047, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-(Benzylsulfanyl)ethan-1-amine--hydrogen chloride (1/1) | HCID 13166188 | — |
| 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 | HCID 70161047 | HCID 70161047 | 25.1% |
Reaction Steps
Synthesis was performed from (2S)-2-({(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoyl}amino)-3-[3-(methoxycarbonyl)-4-(2-methoxy-2-oxoethoxy)phenyl]propanoic acid (100 mg, 0.18 mmol) and 2-(benzylsulfanyl)-1-ethanamine hydrochloride (44 mg, 0.22 mmol) according to Method C with HPLC purification to give the title compound (15 mg). 1H-NMR (400 MHz, CD3OD) d 7.76 (s, 1H), 6.97 (d, J=8.6 Hz, 1H), 4.77 (s, 2H), 4.51 (m, 1H), 4.24 (dd, J=5.1 Hz, J=9.3 Hz, 1H), 3.71 (s, 2H), 3.19 (m, 1H), 2.74 (m, 1H), 2.41 (m, 2H), 1.35 (s, 9H); HRMS m/z 679.2542 (calc. of monoisotopic mass for C34H41N3O9S gives 679.2564).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06410585B1 |
| Source dataset | uspto-grants-2002_06 |
| ORD ID | ord-51a8e24219744274affc132b55f7ac78 |
| Source note | uspto-grants-2002_06 |