4'-Mercaptoacetanilide → HCID 178437975, compound

HRID 1987602Notes

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][CH3:19])=[N:14][NH:15][C:16]/2=[O:17])/[CH:3]=1.[C:20]([NH:23][C:24]1[CH:29]=[CH:28][C:27]([SH:30])=[CH:26][CH:25]=1)(=[O:22])[CH3:21]>>[CH2:18]([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:30][C:27]3[CH:26]=[CH:25][C:24]([NH:23][C:20](=[O:22])[CH3:21])=[CH:29][CH:28]=3)=[CH:3]\1)=[CH:10][CH:9]=[CH:8][CH:7]=2)[CH3:19]

Participants

Reactant 2

HCID 707774'-Mercaptoacetanilide

HCID 178437973HCID 178437973, compound

Product 1

HCID 178437975HCID 178437975, compound

Procedure

The title compound was prepared from (Z)-4-(4-chloroquinolin-2(1H)-ylidene)-3-ethyl-1H-pyrazol-5(4H)-one and 4-acetamidothiophenol using the procedure described in Example 6. 1H NMR (400 MHz, DMSO-D6) δ ppm 0.82 (t, J=7.45 Hz, 3H) 2.06-2.16 (s, 3H) 2.17-2.25 (m, 2H) 6.63 (s, 1H) 7.57 (t, J=7.96 Hz, 1H) 7.67 (d, J=8.59 Hz, 2H) 7.78-7.89 (m, 4H) 8.08 (d, J=8.34 Hz, 1H) 10.32 (s, 1H); ESI-MS: m/z calc'd for C22H20N4O2S 404.13. found 405.2 (M+H)+.

Sources & evidence

ORD record: ord-262b5f370f204c5f82e30fafad131ac0
Source dataset: uspto-grants-2009_06
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07550598B2

Reaction notes

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