(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid → HCID 21071102, compound

HRID 1372045Notes

Reaction equation

HRID 1372045 reaction equation
[CH3:1]N(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH3:25][O:26][C:27]1[CH:28]=[C:29]([N:34]2[CH2:39][CH2:38][NH:37][CH2:36][CH2:35]2)[CH:30]=[C:31](C)[CH:32]=1.[Cl:40][C:41]1[C:42]([C:51]([F:54])([F:53])[F:52])=[N:43][N:44]([CH2:47][C:48](O)=[O:49])[C:45]=1[CH3:46]>>[Cl:40][C:41]1[C:42]([C:51]([F:54])([F:53])[F:52])=[N:43][N:44]([CH2:47][C:48]([N:37]2[CH2:36][CH2:35][N:34]([C:29]3[CH:28]=[C:27]([O:26][CH3:25])[CH:32]=[CH:31][C:30]=3[CH3:1])[CH2:39][CH2:38]2)=[O:49])[C:45]=1[CH3:46]

Participants

4

Reactant 3

HCID 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)HCID 21070974HCID 21070974, compound

Product 1

HCID 21071102HCID 21071102, compound

Procedure

Title compound was prepared following the HATU mediated coupling protocol P, wherein 1-(3-Methoxy-5-methylphenyl)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) 7.06 (d, 1H), 6.56 (m, 2H), 5.38 (s, 2H), 3.69 (s, 3H), 3.62 (m, 4H), 2.92 (m, 2H), 2.84 (m, 2H), 2.20 (s, 3H) ppm; MS (ES) M+H expected=431.1, found=431.1.

Sources & evidence

ORD record
ord-f635fa1dd30441159f366484b8348d46
Source dataset
uspto-grants-2007_01
Patent number
US07157464B2

Reaction notes

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