Isonicotinic Acid → HCID 178436634, compound

HRID 2040788Notes

Reaction equation

HRID 2040788 reaction equation
C(O)(=O)C1C=C[N:5]=CC=1.C(OC(=O)C[CH2:17][C:18]1[C:23]([CH3:24])=[CH:22][C:21]([C:25](=[NH:28])[NH:26][OH:27])=[CH:20][C:19]=1CC)(C)(C)C>>[CH2:18]([C:19]1[CH:20]=[C:21]([CH:22]=[C:23]([CH3:24])[N:5]=1)[C:25]([NH:26][OH:27])=[NH:28])[CH3:17]

Participants

3

Reactant 2

HCID 5922Isonicotinic AcidHCID 178436624tert-butyl 3-[2-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-6-methylphenyl]propanoate

Product 1

HCID 178436634HCID 178436634, compound

Procedure

The title compound is prepared from isonicotinic acid 4 in analogy to steps e) to g) of the preparation of 3-[2-ethyl-4-(N-hydroxycarbamimidoyl)-6-methyl-phenyl]-propionic acid tert-butyl ester; LC-MS: tR=0.23 min; [M+1]+=180.07; 1H NMR (d6-dmso): δ 1.22 (t, J=7.0 Hz, 3H), 2.44 (s, 3 H), 2.70 (q, J=7.8 Hz, 2H), 5.89 (s, 2 H), 7.31 (s, 2 H), 9.88 (s, 1 H).

Sources & evidence

ORD record
ord-6e46ab5a2be646d9b0a2bbad756c1aae
Source dataset
uspto-grants-2013_11
Patent number
US08580824B2

Reaction notes

Loading…