1-Methylpiperazine → HCID 178428090, compound

HRID 526651Notes

Reaction equation

[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:10]=[N:11][N:12]([C:15]3[CH:23]=[C:22]([CH3:24])[C:18]([C:19](O)=[O:20])=[CH:17][N:16]=3)[C:13]=2[OH:14])=[CH:5][CH:4]=1)#[N:2].[CH3:25][N:26]1[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]1>>[OH:14][C:13]1[N:12]([C:15]2[CH:23]=[C:22]([CH3:24])[C:18]([C:19]([N:29]3[CH2:30][CH2:31][N:26]([CH3:25])[CH2:27][CH2:28]3)=[O:20])=[CH:17][N:16]=2)[N:11]=[CH:10][C:9]=1[C:6]1[CH:7]=[CH:8][C:3]([C:1]#[N:2])=[CH:4][CH:5]=1

Participants

Reactant 2

HCID 531671-Methylpiperazine

HCID 178428092HCID 178428092, compound

Product 1

HCID 178428090HCID 178428090, compound

Procedure

The title compound was prepared in a manner similar to Example 412 using 6-(4-(4-cyanophenyl)-5-hydroxy-1H-pyrazol-1-yl)-4-methylnicotinic acid and 1-methylpiperazine. 1H NMR (400 MHz, DMSO-d6) δ ppm 2.39 (s, 3H) 2.82 (s, 3H) 4.02 (br. s., 4H) 4.56 (br. s., 4H) 7.79 (d, J=8.59 Hz, 2H) 8.12 (br. s., 2H) 8.37 (s, 1H) 8.59 (br. s., 2H); ESI-MS m/z (M+H)+ calc'd for C22H22N6O2, 403.18. found 403.3.

Sources & evidence

ORD record: ord-971c739a17764cf3b10d5da9c939864b
Source dataset: uspto-grants-2016_05
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09345713B2

Reaction notes

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