HCID 14853161, compound → HCID 118590169, compound

HRID 520241Notes

Reaction equation

HRID 520241 reaction equation
[NH2:1][CH:2]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[Cl:11])[CH2:3][OH:4].[N:12]([C:15]1[CH:20]=[CH:19][C:18]([C:21]2[N:25]=[CH:24][N:23]([C:26]3[CH:31]=[CH:30][C:29]([C:32]([F:35])([F:34])[F:33])=[CH:28][CH:27]=3)[N:22]=2)=[CH:17][CH:16]=1)=[C:13]=[S:14]>>[Cl:11][C:6]1[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=1[CH:2]([NH:1][C:13]([NH:12][C:15]1[CH:20]=[CH:19][C:18]([C:21]2[N:25]=[CH:24][N:23]([C:26]3[CH:31]=[CH:30][C:29]([C:32]([F:35])([F:33])[F:34])=[CH:28][CH:27]=3)[N:22]=2)=[CH:17][CH:16]=1)=[S:14])[CH2:3][OH:4]

Participants

3

Reactant 2

HCID 14853161HCID 14853161, compoundHCID 1185901713-(4-isothiocyanatophenyl)-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazole

Product 1

HCID 118590169HCID 118590169, compound

Procedure

The title compound was prepared with 2-amino-2-(2-chlorophenyl)ethanol and 3-(4-isothiocyanatophenyl)-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazole and isolated as a white solid (1.48 g, quantitative): 1H NMR (300 MHz, CDCl3) δ 8.07 (s, 1H), 7.77-7.55 (m, 2H), 7.41-7.23 (m, 3H), 7.21 (d, J=8.5 Hz, 2H), 6.81 (dd, J=8.7, 2.6 Hz, 2H), 6.65 (d, J=6.8 Hz, 6H), 5.40 (s, 1H), 3.39 (qd, J=11.6, 4.9 Hz, 2H); ESIMS m/z 518 ([M+H]+).

Workup

  1. customisolated as a white solid (1.48 g, quantitative)

Sources & evidence

ORD record
ord-85c2fd050add42f6bdf85739d2ca07e1
Source dataset
uspto-grants-2016_05
Patent number
US09326516B2

Reaction notes

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