HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl valinate hydrochloride → N-[4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoyl]-L-valine
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Methyl valinate hydrochloride | HCID 111190 | — |
| 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]-L-valine | HCID 68856491 | — |
Reaction Steps
The product from Example 116B (57 mg, 0.10 mmole) and L-valine methyl ester hydrochloride (34 mg, 0.20 mmole) were processed as in Example 279A and B to provide the titled compound. 1H NMR (500 MHz, DMSO-d6) δ12.03-12.85 (br.s, 1 H), 8.95 (s, 1 H), 7.96 (d, 1 H), 7.23 (m, 8 H), 7.04 (m, 1 H), 6.94 (m, 4 H), 6.68 (dd, 1 H), 6.49 (m, 2 H), 4.14 (dd, 1 H), 4.06 (s, 2 H), 4.03 (s, 2 H), 3.92 (t, 2 H), 2.91 (s, 3 H), 2.40 (s, 3 H), 2.31 (m, 2 H), 2.02 (m, 1 H), 1.90 (m, 2 H), 0.86 (s, 3 H), 0.85 (s, 3 H); MS (APCI+) m/z 674.7 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06583180B2 |
| Source dataset | uspto-grants-2003_06 |
| ORD ID | ord-5df1a3c0ab194688b889dfcfdfa14a16 |
| Source note | uspto-grants-2003_06 |