Iodoethane → 3-Ethylthio-4-(4-nitrobenzyl)-5-phenyl-4H-1,2,4-triazole

HRID 1742098Notes

Reaction equation

[N+:1]([C:4]1[CH:22]=[CH:21][C:7]([CH2:8][N:9]2[C:13]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)=[N:12][NH:11][C:10]2=[S:20])=[CH:6][CH:5]=1)([O-:3])=[O:2].[CH2:23](I)[CH3:24]>>[CH2:23]([S:20][C:10]1[N:9]([CH2:8][C:7]2[CH:21]=[CH:22][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][CH:6]=2)[C:13]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[N:12][N:11]=1)[CH3:24]

Participants

Reactant 2

HCID 6340Iodoethane

HCID 19010064HCID 19010064, compound

Product 1

HCID 104499163-Ethylthio-4-(4-nitrobenzyl)-5-phenyl-4H-1,2,4-triazoleYield 91%

Procedure

Reaction of 2,4-dihydro-4-(4-nitrobenzyl)-5-phenyl-3H-1,2,4-triazole-3-thione with ethyl iodide according to the procedure of Example 6, Part B, gave a 91% yield of the desired product as a solid, mp 107.5°-108.5° C., homogeneous by TLC in 97:3 CH2Cl2 --MeOH; mass spectrum (FAB) m/e 341 (M+1)+.

Sources & evidence

ORD record: ord-48149b2d64ca42a08ed38cc6faa15863
Source dataset: uspto-grants-1994_08
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US05336778

Reaction notes

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