2-Thiocresol → HCID 178434123, compound

HRID 1987653Notes

Reaction equation

HRID 1987653 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[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1[SH: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]([S:26][C:21]3[CH:22]=[CH:23][CH:24]=[CH:25][C:20]=3[CH3:19])=[CH:3]\1)=[CH:10][CH:9]=[CH:8][CH:7]=2

Participants

3

Reactant 2

HCID 87122-ThiocresolHCID 178434119HCID 178434119, compound

Product 1

HCID 178434123HCID 178434123, compound

Procedure

The title compound was prepared from (Z)-4-(4-chloroquinolin-2(1H)-ylidene)-3-methyl-1H-pyrazol-5(4H)-one and 2-methylbenzenethiol using a procedure analogous to the one described in Example 6. 1H NMR (400 MHz, DMSO-D6) δ ppm 1.94 (s, 3H) 2.32 (s, 3H) 6.79 (s, 1H) 7.58-7.68 (m, 3H) 7.76-7.88 (m, 3H) 7.92 (d, J=8.14 Hz, 1H) 8.18 (d, J=8.24 Hz, 1H) 10.38 (s, 1H) 13.10 (bs, 1H); ESI-MS: m/z calc'd for C20H17N3OS 347.11. found 348.3 (M+H)+.

Sources & evidence

ORD record
ord-a58c6f66f1b84ea69308fe3c2a90d1b1
Source dataset
uspto-grants-2009_06
Patent number
US07550598B2

Reaction notes

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