(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid → HCID 21071139, compound

HRID 270844Notes

Reaction equation

HRID 270844 reaction equation
CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH3:25][N:26]([CH3:42])[S:27]([C:30]1[CH:35]=[CH:34][C:33]([N:36]2[CH2:41][CH2:40][NH:39][CH2:38][CH2:37]2)=[CH:32][CH:31]=1)(=[O:29])=[O:28].[Cl:43][C:44]1[C:45]([C:54]([F:57])([F:56])[F:55])=[N:46][N:47]([CH2:50][C:51](O)=[O:52])[C:48]=1[CH3:49]>>[Cl:43][C:44]1[C:45]([C:54]([F:56])([F:55])[F:57])=[N:46][N:47]([CH2:50][C:51]([N:39]2[CH2:40][CH2:41][N:36]([C:33]3[CH:32]=[CH:31][C:30]([S:27]([N:26]([CH3:42])[CH3:25])(=[O:28])=[O:29])=[CH:35][CH:34]=3)[CH2:37][CH2:38]2)=[O:52])[C:48]=1[CH3:49]

Participants

4

Reactant 3

HCID 1876853(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acidHCID 6487558HCID 6487558, compoundHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)

Product 1

HCID 21071139HCID 21071139, compound

Procedure

Title compound was prepared following the HATU mediated coupling protocol P, wherein N,N-Dimethyl-4-piperazin-1-yl-benzenesulfonamide 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) 7.54 (d, 2H), 7.08 (d, 2H), 5.38 (s, 2H), 3.62 (m, 4H), 3.48 (m, 2H), 3.37 (m, 2H), 2.19 (s, 3H) ppm; MS (ES) M+H expected=494.1, found=494.0.

Sources & evidence

ORD record
ord-e30bfb6d3a1d4715ae6e003d21dbb27c
Source dataset
uspto-grants-2008_11
Patent number
US07449576B1

Reaction notes

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