Benzoic acid, 2-mercapto-, methyl ester → HCID 178497656, compound

HRID 1987652Notes

Reaction equation

HRID 1987652 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:29]=[CH:28][CH:27]=[CH:26][C:21]=1[C:22]([O:24][CH3:25])=[O:23]>>[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:29]=[CH:28][CH:27]=[CH:26][C:21]=3[C:22]([O:24][CH3:25])=[O:23])=[CH:3]\1)=[CH:10][CH:9]=[CH:8][CH:7]=2

Participants

3

Reactant 2

HCID 21009Benzoic acid, 2-mercapto-, methyl esterHCID 178434119HCID 178434119, compound

Product 1

HCID 178497656HCID 178497656, compound

Procedure

The title compound was prepared from (Z)-4-(4-chloroquinolin-2(1H)-ylidene)-3-methyl-1H-pyrazol-5(4H)-one and methyl 2-mercaptobenzoate using a procedure analogous to the one described in Example 6. 1H NMR (400 MHz, DMSO-D6) δ ppm 1.96 (s, 3H) 3.88 (s, 3H) 6.77 (s, 1H) 7.50-7.72 (m, 3H) 7.76-7.92 (m, 3H) 7.96 (d, J=8.12 Hz, 1H) 8.16 (d, J=8.18 Hz, 1H) 10.39 (s, 1H) 13.20 (bs, 1H); ESI-MS: m/z calc'd for C21H17N3O3S 391.10. found 392.3 (M+H)+.

Sources & evidence

ORD record
ord-80d8e3a188c04d66802a0abb6ac7b119
Source dataset
uspto-grants-2009_06
Patent number
US07550598B2

Reaction notes

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