Methyl 3-mercaptobenzoate → HCID 178498012, compound

HRID 1987651Notes

Reaction equation

HRID 1987651 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.[SH:19][C:20]1[CH:21]=[C:22]([CH:27]=[CH:28][CH:29]=1)[C:23]([O:25][CH3:26])=[O:24]>>[CH3:18][C:13]1=[N:14][NH:15][C:16](=[O:17])/[C:12]/1=[C:4]1\[NH:5][C:6]2[C:11]([C:2]([S:19][C:20]3[CH:21]=[C:22]([CH:27]=[CH:28][CH:29]=3)[C:23]([O:25][CH3:26])=[O:24])=[CH:3]\1)=[CH:10][CH:9]=[CH:8][CH:7]=2

Participants

3

Reactant 2

HCID 4362804Methyl 3-mercaptobenzoateHCID 178434119HCID 178434119, compound

Product 1

HCID 178498012HCID 178498012, 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-mercaptobenzoate using a procedure analogous to the one described in Example 6. 1H NMR (400 MHz, DMSO-D6) δ ppm 1.96 (s, 3H) 3.90 (s, 3 H) 6.77 (s, 1H) 7.65-7.69 (m, 3H) 7.86-7.96 (m, 3H) 7.99 (d, J=8.08 Hz, 1H) 8.16 (d, J=8.34 Hz, 1H) 10.35 (s, 1H) 13.04 (bs, 1H); ESI-MS: m/z calc'd for C21H17N3O3S 391.10. found 392.3 (M+H)+.

Sources & evidence

ORD record
ord-94f7e8e593254aabb470704cfaf152c7
Source dataset
uspto-grants-2009_06
Patent number
US07550598B2

Reaction notes

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