Isonicotinic Acid → HCID 70143032, compound

HRID 2268810Notes

Reaction equation

Cl.C[O:3][C:4](=[O:24])[C@H:5]([CH2:7][C:8]1[CH:13]=[CH:12][C:11]([O:14][CH2:15][C:16]2[C:21]([Cl:22])=[CH:20][CH:19]=[CH:18][C:17]=2[Cl:23])=[CH:10][CH:9]=1)[NH2:6].[C:25](O)(=[O:32])[C:26]1[CH:31]=[CH:30][N:29]=[CH:28][CH:27]=1>>[N:29]1[CH:30]=[CH:31][C:26]([C:25]([NH:6][C@H:5]([C:4]([OH:3])=[O:24])[CH2:7][C:8]2[CH:13]=[CH:12][C:11]([O:14][CH2:15][C:16]3[C:21]([Cl:22])=[CH:20][CH:19]=[CH:18][C:17]=3[Cl:23])=[CH:10][CH:9]=2)=[O:32])=[CH:27][CH:28]=1

Participants

Reactant 2

HCID 5922Isonicotinic Acid

HCID 69806827HCID 69806827, compound

Product 1

HCID 70143032HCID 70143032, compound

Procedure

from O-(2,6-dichlorobenzyl)-L-tyrosine methyl ester hydrochloride and isonicotinic acid. δH (DMSO-d6) 8.68 (2H, dd, J 4.5, 1.6 Hz), 8.4 (1H, d, J 7.2 Hz), 7.63 (2H, dd, J 4.5, 1.6 Hz), 7.6-7.4 (3H, m), 7.15 (2H, d, J 8.6 Hz), 6.87 (2H, d, J 8.6 Hz), 5.14 (2H, s), 4.31 (1H, m), 3.2-2.96 (2H, m); m/z (ESI, 60V) 445 (MH+).

Sources & evidence

ORD record: ord-483c00e212e049ee9b9a2b7d3d582d7e
Source dataset: uspto-grants-2001_12
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US06329372B1

Reaction notes

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