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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1370908Generated: October 26, 2026

beta-Alanine, ethyl ester, hydrochloride → N-[4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoyl]-beta-alanine

https://huagongshe.com/reaction/1370908

Reaction equation

Participants

RoleNameHCIDCharge
Reactantbeta-Alanine, ethyl ester, hydrochlorideHCID 458475—
Reactant4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoic AcidHCID 18512168—
ProductN-[4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoyl]-beta-alanineHCID 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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06583180B2
Source datasetuspto-grants-2003_06
ORD IDord-8563016a77684b228474513d5651f2d2
Source noteuspto-grants-2003_06