(4-Benzyl-piperazin-1-yl)-acetic acid → HCID 49780166, compound

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Reaction Steps

Intermediate 42 (303 mg, 1 mmol) was reacted with carboxylic acid 46 by Method E. Flash chromatography eluted with 9:1 DCM:MeOH afforded compound 50 (379 mg, 73%) as a white solid: Mp 178-183° C. 1H NMR (500 MHz, DMSO-d6) δ 8.52 (s, 1H), 7.47 (d, J=8.9 Hz, 2H), 7.34-7.26 (m, 4H), 7.26-7.19 (m, 3H), 6.25 (d, J=7.5 Hz, 1H), 4.14 (d, J=13.4 Hz, 1H), 3.95 (d, J=12.5 Hz, 1H), 3.75-3.66 (m, 1H), 3.45 (s, 2H), 3.23 (d, J=13.2 Hz, 1H), 3.12 (t, J=11.9 Hz, 1H), 3.00 (d, J=13.1 Hz, 1H), 2.78 (t, J=11.6 Hz, 1H), 2.47-2.30 (m, 8H), 1.89-1.76 (m, 2H), 1.40-1.31 (m, 1H), 1.23-1.13 (m, 1H). Purity 90%. HRMS calculated for C20H21F3N4O3−H+ 518.2379. found (ESI(−), [M−H]) 518.2365.

Provenance & Evidence