4-Aminothiophenol → HCID 178507799, compound

HRID 1987636Notes

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]([CH:18]3[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]3)=[N:14][NH:15][C:16]/2=[O:17])/[CH:3]=1.[NH2:24][C:25]1[CH:30]=[CH:29][C:28]([SH:31])=[CH:27][CH:26]=1>>[NH2:24][C:25]1[CH:30]=[CH:29][C:28]([S:31][C:2]2[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[NH:5]/[C:4](=[C:12]3/[C:13]([CH:18]4[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]4)=[N:14][NH:15][C:16]/3=[O:17])/[CH:3]=2)=[CH:27][CH:26]=1

Participants

Reactant 2

HCID 145104-Aminothiophenol

HCID 178518891HCID 178518891, compound

Product 1

HCID 178507799HCID 178507799, compound

Procedure

The title compound was prepared from (Z)-4-(4-chloroquinolin-2(1H)-ylidene)-3-cyclohexyl-1H-pyrazol-5(4H)-one and 4-aminothiophenol using the procedure described in Example 48. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.08-1.19 (m, 3H) 1.29-1.40 (m, 2H) 1.58-1.65 (m, 4H) 1.67 (d, J=9.60 Hz, 2H) 2.37 (t, J=10.23 Hz, 1H) 6.76 (d, J=8.59 Hz, 2H) 6.90 (s, 1H) 7.33 (d, J=8.34 Hz, 2H) 7.63 (t, J=7.33 Hz, 1H) 7.85-7.93 (m, 2H) 8.16 (d, J=8.34 Hz, 1H); ESI-MS: m/z calc'd for C24H24N4OS 416.54. found m/z 417.1 (M+H)+.

Sources & evidence

ORD record: ord-409f5b80a39e4b56b7a92f1d2076171e
Source dataset: uspto-grants-2009_06
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07550598B2

Reaction notes

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