Ethyl 3-isocyanatopropanoate → HCID 11340881, compound

HRID 2424491Notes

Reaction equation

HRID 2424491 reaction equation
[CH2:1]([O:3][C:4](=[O:10])[CH2:5][CH2:6][N:7]=[C:8]=[O:9])[CH3:2].[NH2:11][C:12]1[N:17]=[N:16][C:15]([N:18]2[CH2:23][CH2:22][N:21]([C:24]([C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[C:32]([F:35])([F:34])[F:33])=[O:25])[CH2:20][CH2:19]2)=[CH:14][CH:13]=1>>[CH2:1]([O:3][C:4](=[O:10])[CH2:5][CH2:6][NH:7][C:8]([NH:11][C:12]1[N:17]=[N:16][C:15]([N:18]2[CH2:19][CH2:20][N:21]([C:24](=[O:25])[C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[C:32]([F:35])([F:34])[F:33])[CH2:22][CH2:23]2)=[CH:14][CH:13]=1)=[O:9])[CH3:2]

Participants

3

Reactant 2

HCID 2733373Ethyl 3-isocyanatopropanoateHCID 66849536[4-(6-Aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone

Product 1

HCID 11340881HCID 11340881, compound

Procedure

Following the procedure of Example 5, making variations only as required to use 3-isocyanatopropionic acid ethyl ester 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 powder (37% yield). 1H NMR (300 MHz, CDCl3) δ 8.12, 7.92, 7.74, 7.62, 7.55, 7.36, 7.11, 6.65, 3.95-3.90, 3.59, 3.49-3.40, 3.28, 2.36-2.33, 1.63-1.61, 0.94-0.93.

Sources & evidence

ORD record
ord-0ecde4e1b90f406586850e39e67ce394
Source dataset
uspto-grants-2011_06
Patent number
US07964591B2

Reaction notes

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