Hexafluoroacetylacetone → HCID 90149787, compound

HRID 1752814Notes

Reaction equation

HRID 1752814 reaction equation
[Cl:1][C:2]1[CH:17]=[CH:16][C:5]([O:6][CH2:7][CH2:8][S:9][C:10]2[N:14]=[C:13]([NH2:15])[NH:12][N:11]=2)=[CH:4][CH:3]=1.[CH2:18]([C:25]([C:27]([F:30])([F:29])[F:28])=O)[C:19]([C:21]([F:24])([F:23])[F:22])=O>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:6][CH2:7][CH2:8][S:9][C:10]2[N:14]=[C:13]3[N:15]=[C:19]([C:21]([F:22])([F:23])[F:24])[CH:18]=[C:25]([C:27]([F:28])([F:30])[F:29])[N:12]3[N:11]=2)=[CH:16][CH:17]=1

Participants

3

Reactant 2

HCID 73706HexafluoroacetylacetoneHCID 1648919HCID 1648919, compound

Product 1

HCID 90149787HCID 90149787, compoundYield 32%

Procedure

The title compound was prepared according to the experimentals described for Example 23 above from 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-5-amine and hexafluoroacetylacetone in 32% yield; EM (calc.): 442.0; MS (ESI) m/e: 443.0 (M+H)+. 1H NMR (DMSO-d6, 400 MHz) δ ppm: 8.40 (s, 1H), 7.32 (d, 2H), 7.01 (d, 2H), 4.36 (t, 2H), 3.71 (t, 2H). 19F NMR (DMSO-d6, 376 MHz) δ ppm: −66.84 (s), −67.45 (s).

Sources & evidence

ORD record
ord-24b031914cdb4b79823e424cf77e744b
Source dataset
uspto-grants-2015_10
Patent number
US09163027B2

Reaction notes

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