1-(4-(Methylsulfonyl)phenyl)piperazine → HCID 21071028, compound

HRID 270833Notes

Reaction equation

HRID 270833 reaction equation
CN(C(ON1N=[N:16][C:11]2C=[CH:13][CH:14]=[N:15][C:10]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH3:25][S:26]([C:29]1[CH:34]=[CH:33][C:32](N2CCNCC2)=[CH:31][CH:30]=1)(=[O:28])=[O:27].[Cl:41][C:42]1[C:43]([C:52]([F:55])([F:54])[F:53])=[N:44][N:45]([CH2:48][C:49]([OH:51])=O)[C:46]=1[CH3:47]>>[CH3:25][S:26]([C:29]1[CH:30]=[CH:31][C:32]([CH:11]2[CH2:10][NH:15][CH2:14][CH2:13][N:16]2[C:49](=[O:51])[CH2:48][N:45]2[C:46]([CH3:47])=[C:42]([Cl:41])[C:43]([C:52]([F:55])([F:54])[F:53])=[N:44]2)=[CH:33][CH:34]=1)(=[O:27])=[O:28]

Participants

4

Reactant 3

HCID 7359041-(4-(Methylsulfonyl)phenyl)piperazineHCID 1876853(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acidHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)

Product 1

HCID 21071028HCID 21071028, compound

Procedure

Title compound was prepared following the HATU mediated coupling protocol P, wherein 1-(4-Methanesulfonyl-phenyl)-piperazine and (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid were used as the coupling components, to give the product as a solid: 1H NMR (DMSO-d6, 400 MHz) 7.69 (d, 2H), 7.08 (d, 2H), 5.38 (s, 2H), 3.59 (m, 4H), 3.49 (m, 2H), 3.38 (m, 2H), 3.09 (s, 3H), 2.19 (s, 3H) ppm; MS (ES) M+H expected=465.1, found=465.0.

Sources & evidence

ORD record
ord-8d642f00084e461e943e76b48641a609
Source dataset
uspto-grants-2008_11
Patent number
US07449576B1

Reaction notes

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