Phenethyl isocyanate → HCID 11466137, compound

HRID 2356462Notes

Reaction equation

HRID 2356462 reaction equation
[C:1]1([CH2:7][CH2:8][N:9]=[C:10]=[O:11])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH2:12][C:13]1[N:18]=[N:17][C:16]([N:19]2[CH2:24][CH2:23][N:22]([C:25]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=3[C:33]([F:36])([F:35])[F:34])=[O:26])[CH2:21][CH2:20]2)=[CH:15][CH:14]=1>>[CH2:8]([NH:9][C:10]([NH:12][C:13]1[N:18]=[N:17][C:16]([N:19]2[CH2:20][CH2:21][N:22]([C:25](=[O:26])[C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=3[C:33]([F:36])([F:35])[F:34])[CH2:23][CH2:24]2)=[CH:15][CH:14]=1)=[O:11])[CH2:7][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1

Participants

3

Reactant 2

HCID 160602Phenethyl isocyanateHCID 66849536[4-(6-Aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone

Product 1

HCID 11466137HCID 11466137, compound

Procedure

Following the procedure of Example 5, making variations only as required to use 2-phenylethylisocyanate in place of (2-isocyanatocyclopropyl)benzene to react with [4-(6-aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)-methanone, the title compound was obtained as a white solid (19% yield). 1H NMR (500 MHz, CDCl3) δ 7.92, 7.60, 7.64, 7.58, 7.37, 7.13-7.24, 7.09, 3.96-4.03, 3.82-3.89, 3.40-3.56, 3.22-3.34, 2.86.

Sources & evidence

ORD record
ord-dc51ca70ee3d4b34bce809dd088e2e05
Source dataset
uspto-grants-2010_07
Patent number
US07759348B2

Reaction notes

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