Isonicotinic Acid → HCID 25230804, compound

HRID 657588Notes

Reaction equation

[Cl:1][C:2]1[CH:3]=[C:4]([N:22]2[C:27](=[O:28])[NH:26][C:25](=[O:29])[C:24]([C:30]#[N:31])=[N:23]2)[CH:5]=[C:6]([Cl:21])[C:7]=1[O:8][C:9]1[CH:14]=[C:13]([CH:15]([CH3:17])[CH3:16])[C:12](=[O:18])[N:11]([CH2:19][OH:20])[N:10]=1.[C:32](O)(=[O:39])[C:33]1[CH:38]=[CH:37][N:36]=[CH:35][CH:34]=1>>[Cl:21][C:6]1[CH:5]=[C:4]([N:22]2[C:27](=[O:28])[NH:26][C:25](=[O:29])[C:24]([C:30]#[N:31])=[N:23]2)[CH:3]=[C:2]([Cl:1])[C:7]=1[O:8][C:9]1[CH:14]=[C:13]([CH:15]([CH3:17])[CH3:16])[C:12](=[O:18])[N:11]([CH2:19][O:20][C:32](=[O:39])[C:33]2[CH:38]=[CH:37][N:36]=[CH:35][CH:34]=2)[N:10]=1

Participants

Reactant 2

HCID 5922Isonicotinic Acid

HCID 25230624HCID 25230624, compound

Product 1

HCID 25230804HCID 25230804, compound

Procedure

Using the method described in Example 14 from 2-[3,5-dichloro-4-(1-hydroxymethyl-5-isopropyl-6-oxo-1,6-dihydro-pyridazin-3-yloxy)-phenyl]-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazine-6-carbonitrile and isonicotinic acid: isonicotinic acid 3-[2,6-dichloro-4-(6-cyano-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-phenoxy]-5-isopropyl-6-oxo-6H-pyridazin-1-ylmethyl ester was obtained as a light yellow solid (43.6 mg, 23%); ES+-HRMS m/e calcd for C24H17N7O6Cl2 (M+H+) 570.0690, found 570.0686.

Sources & evidence

ORD record: ord-7eab7490caec403b815af6aa30491255
Source dataset: uspto-grants-2011_12
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08076334B2

Reaction notes

Loading…