1-[2-(Trifluoromethyl)benzoyl]piperazine → HCID 67012400, compound

HRID 2056594Notes

Reaction equation

HRID 2056594 reaction equation
[CH2:1]([NH:8][C:9]([C:11]1[N:12]=[N:13][C:14](Cl)=[CH:15][CH:16]=1)=[O:10])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7].[N:18]1([C:24]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=2[C:32]([F:35])([F:34])[F:33])=[O:25])[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]1>>[CH2:1]([NH:8][C:9]([C:11]1[N:12]=[N:13][C:14]([N:21]2[CH2:22][CH2:23][N:18]([C:24](=[O:25])[C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[C:32]([F:35])([F:33])[F:34])[CH2:19][CH2:20]2)=[CH:15][CH:16]=1)=[O:10])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7]

Participants

3

Reactant 2

HCID 167337841-[2-(Trifluoromethyl)benzoyl]piperazineHCID 86026028HCID 86026028, compound

Product 1

HCID 67012400HCID 67012400, compound

Procedure

Following the procedure of Example 15, making variations only as required to use 6-chloropyridazine-3-carboxylic acid heptylamide in place of 6-chloropyridazine-3-carboxylic acid (2-cyclopropyl-2-hydroxyethyl)amide to react with piperazin-1-yl-(2-trifluoromethyl-phenyl)methanone, the title compound was obtained as a white powder (41% yield). 1H NMR (300 MHz, CDCl3) δ 8.05, 7.85, 7.72, 7.58, 7.34, 6.98, 4.03, 3.94-3.64, 3.47-3.28, 1.58, 1.32-1.25, 0.84. 13C NMR (75 MHz, CDCl3) δ 167.6, 162.9, 160.0, 145.5, 134.3, 132.4, 129.5, 126.9, 126.3, 125.4, 121.8, 112.6, 46.4, 44.5, 41.3, 39.4, 31.7, 29.6, 29.0, 26.9, 22.6, 14.1. MS (ES+) m/z 478.2 (M+1).

Sources & evidence

ORD record
ord-2bf99dfa28ea4332b829600766f02c6b
Source dataset
uspto-grants-2008_02
Patent number
US07335658B2

Reaction notes

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