4-Nitrobenzenethiol → HCID 178434118, compound

HRID 1987655Notes

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]([CH2:18]C3C=CC=CC=3)=[N:14][NH:15][C:16]/2=[O:17])/[CH:3]=1.[N+:25]([C:28]1[CH:33]=[CH:32][C:31](S)=[CH:30][CH:29]=1)([O-:27])=[O:26]>>[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]([C:31]3[CH:32]=[CH:33][C:28]([N+:25]([O-:27])=[O:26])=[CH:29][CH:30]=3)=[CH:3]\1)=[CH:10][CH:9]=[CH:8][CH:7]=2

Participants

Reactant 2

HCID 158094-Nitrobenzenethiol

HCID 178518914HCID 178518914, compound

Product 1

HCID 178434118HCID 178434118, compound

Procedure

The title compound was prepared from (Z)-4-(4-chloroquinolin-2(1H)-ylidene)-3-benzyl-1H-pyrazol-5(4H)-one and 4-nitrobenzenethiol using a procedure analogous to the one described in Example 6. 1H NMR (400 MHz, DMSO-D6) δ ppm 1.99 (s, 3H) 6.65 (s, 1H) 7.03-7.10 (m, 2H) 7.44 (d, J=8.34 Hz, 2H) 7.64 (t, J=7.45 Hz, 1H) 7.88 (t, J=7.83 Hz, 1H) 7.96 (d, J=8.59 Hz, 1H) 8.08 (d, J=8.08 Hz, 2H) 13.12 (bs, 1H); ESI-MS: m/z calc'd for C19H14N4O3S 378.08. found 379.2 (M+H)+.

Sources & evidence

ORD record: ord-9e6fb252e70a407c8b5fc0af1a6c8109
Source dataset: uspto-grants-2009_06
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07550598B2

Reaction notes

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