HuagongsheHuagongshe Chemistry Print Report · For research reference only
beta-Alanine, ethyl ester, hydrochloride → N-[4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoyl]-beta-alanine
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | beta-Alanine, ethyl ester, hydrochloride | HCID 458475 | — |
| Reactant | 4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoic Acid | HCID 18512168 | — |
| Product | N-[4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoyl]-beta-alanine | HCID 18512284 | — |
Reaction Steps
The product from Example 116B and β-alanine ethyl ester hydrochloride were processed as described in Example 104B to provide the title compound. 1H NMR (300 MHz, DMSO-d6) δ8.97 (s, 1 H), 7.90 (t, 1 H), 7.14-7.36 (m, 8 H), 6.85-7.12 (m, 5 H), 6.67 (ddd, 1 H), 6.48 (m, 2 H), 4.06 (s, 2 H), 4.02 (s, 2 H), 3.90 (t, 2 H), 3.80 (br.s, 1 H), 3.22 (dd, 2 H), 2.91 (s, 3 H), 2.40 (s, 3 H), 2.35 (t, 2 H), 2.19 (t, 2 H), 1.76-1.98 (m, 2 H); MS (APCI) m/z 646 (M+H+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06583180B2 |
| Source dataset | uspto-grants-2003_06 |
| ORD ID | ord-8563016a77684b228474513d5651f2d2 |
| Source note | uspto-grants-2003_06 |