3-Mercapto-2-methylbenzoic acid → HCID 178434127, compound

HRID 1987654Notes

Reaction equation

HRID 1987654 reaction equation
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[NH:5]/[C:4](=[C:12]2/[C:13]([CH3:18])=[N:14][NH:15][C:16]/2=[O:17])/[CH:3]=1.[CH3:19][C:20]1[C:28]([SH:29])=[CH:27][CH:26]=[CH:25][C:21]=1[C:22]([OH:24])=[O:23]>>[CH3:19][C:20]1[C:28]([S:29][C:2]2[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[NH:5]/[C:4](=[C:12]3/[C:13]([CH3:18])=[N:14][NH:15][C:16]/3=[O:17])/[CH:3]=2)=[CH:27][CH:26]=[CH:25][C:21]=1[C:22]([OH:24])=[O:23]

Participants

3

Reactant 2

HCID 109318223-Mercapto-2-methylbenzoic acidHCID 178434119HCID 178434119, compound

Product 1

HCID 178434127HCID 178434127, compound

Procedure

The title compound was prepared from (Z)-4-(4-chloroquinolin-2(1H)-ylidene)-3-methyl-1H-pyrazol-5(4H)-one and methyl 3-mercaptobenzoic acid using a procedure analogous to the one described in Example 6. 1H NMR (400 MHz, DMSO-D6) δ ppm 1.93 (s, 3H) 6.79 (s, 1H) 7.62-7.73 (m, 3H) 7.76-7.88 (m, 3H) 7.94 (d, J=8.18 Hz, 1H) 8.12 (d, J=8.26 Hz, 1H) 10.30 (s, 1H) 13.11 (bs, 1H); ESI-MS: m/z calc'd for C20H15N3O3S 377.08. found 378.2 (M+H)+.

Sources & evidence

ORD record
ord-8de742c1f7b6468ca647fff38802439e
Source dataset
uspto-grants-2009_06
Patent number
US07550598B2

Reaction notes

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