Methyl valinate hydrochloride → N-[(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)acetyl]-L-valine

Participants

Role	Name	HCID	Charge
Reactant	Methyl valinate hydrochloride	HCID 111190	—
Reactant	(4-(4-((Benzyl(2-methyl-3-((methylsulfonyl)amino)phenyl)amino)methyl)phenoxy)phenoxy)acetic acid	HCID 11410199	—
Product	N-[(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)acetyl]-L-valine	HCID 68859400	—

Reaction Steps

The product from Example 95C and L-valine methyl ester hydrochloride were processed as described in Example 251A and B to provide the titled compound. 1H NMR (500 MHz, DMSO-d6) δ12.36-13.13 (br.s, 1 H), 8.94 (s, 1 H), 7.99 (d, 1 H), 7.23 (m, 7 H), 7.03 (t, 1 H), 6.95 (m, 6 H), 6.82 (d, 2 H), 4.58 (d, 2 H), 4.21 (dd, 1 H), 4.05 (s, 2 H), 4.00 (s, 2 H), 2.91 (s, 3 H), 2.39 (s, 3 H), 2.10 (m, 1 H), 0.87 (dd, 6 H); MS (ESI+) 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-68434d7cabbe4a4bb98cfd0854da21aa
Source note	uspto-grants-2003_06