HuagongsheHuagongshe Chemistry Print Report · For research reference only
beta-Alanine, ethyl ester, hydrochloride → N-[4-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenyl)butanoyl]-beta-alanine
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | beta-Alanine, ethyl ester, hydrochloride | HCID 458475 | — |
| Reactant | 4-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenyl)butanoic Acid | HCID 18512213 | — |
| Product | N-[4-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenyl)butanoyl]-beta-alanine | HCID 18512380 | — |
Reaction Steps
The product from Example 100 and β-alanine ethyl ester hydrochloride were processed as described in Example 104B to provide the title compound. 1H NMR (300 MHz, DMSO-d6) δ8.96 (s, 1 H), 7.88 (br.s, 1 H), 7.12-7.35 (m, 8 H), 7.02 (m, 4 H), 6.89 (m, 4 H), 4.04 (m, 4 H), 3.22 (m, 2 H), 2.91 (s, 3 H), 2.39 (s, 3 H), 2.37 (m, 5 H), 2.05 (m, 2 H), 1.76 (m, 2 H); MS (APCI) m/z 630 (M+H+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06583180B2 |
| Source dataset | uspto-grants-2003_06 |
| ORD ID | ord-2fcb9b6943fd4390b91168ab924a1770 |
| Source note | uspto-grants-2003_06 |