4,4,4-Trifluorobutanoic acid → HCID 86597227, compound

HRID 2356524Notes

Reaction equation

HRID 2356524 reaction equation
[F:1][C:2]([F:9])([F:8])[CH2:3][CH2:4][C:5](O)=[O:6].[CH3:10][CH:11]([CH3:29])[CH2:12][CH2:13][NH:14][C:15]([C:17]1[N:18]=[N:19][C:20]([N:23]2[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]2)=[CH:21][CH:22]=1)=[O:16]>>[CH3:10][CH:11]([CH3:29])[CH2:12][CH2:13][NH:14][C:15]([C:17]1[N:18]=[N:19][C:20]([N:23]2[CH2:28][CH2:27][N:26]([C:5](=[O:6])[CH2:4][CH2:3][C:2]([F:9])([F:8])[F:1])[CH2:25][CH2:24]2)=[CH:21][CH:22]=1)=[O:16]

Participants

3

Reactant 2

HCID 27770854,4,4-Trifluorobutanoic acidHCID 668493226-Piperazin-1-yl-pyridazin-3-carboxylic acid (3-methylbutyl)amide

Product 1

HCID 86597227HCID 86597227, compound

Procedure

Following the procedure of Example 14, making variations only as required to use 4,4,4-trifluorobutyric acid in place of 4,4,4-trifluoro-2-methylbutyric acid to react with 6-piperazin-1-yl-pyridazin-3-carboxylic acid (3-methylbutyl)amide, the title compound was obtained as a white flaky solid (49% yield). 1H NMR (300 MHz, CDCl3) δ 8.07, 7.85, 7.00, 3.91, 3.82, 3.72, 3.67, 3.50, 2.50-2.67, 1.70, 1.50, 0.95. MS (ES+) m/z 402 (M+1).

Sources & evidence

ORD record
ord-4ca5a29f89d84df8acf2e2ae74d347f6
Source dataset
uspto-grants-2010_07
Patent number
US07759348B2

Reaction notes

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