HCID 16244170, compound → HCID 178433362, compound

HRID 1812181Notes

Reaction equation

F[C:2]1[C:7]([C:8]2[N:13]=[C:12]([CH3:14])[N:11]=[C:10]([N:15](CC3C=CC(OC)=CC=3)CC3C=CC(OC)=CC=3)[N:9]=2)=[CH:6][C:5]([CH2:34][N:35]2[CH2:40][CH2:39][N:38]([S:41]([CH3:44])(=[O:43])=[O:42])[CH2:37][CH2:36]2)=[CH:4][N:3]=1.COC1C=CC(C[N:52]2[C:56]3[CH:57]=[CH:58][C:59]([NH2:61])=[CH:60][C:55]=3[N:54]=[CH:53]2)=CC=1.COC1C=CC(CN2C3C=C(N)C=CC=3N=C2)=CC=1>>[NH2:15][C:10]1[N:11]=[C:12]([CH3:14])[N:13]=[C:8]([C:7]2[C:2]([NH:61][C:59]3[CH:58]=[CH:57][C:56]4[NH:52][CH:53]=[N:54][C:55]=4[CH:60]=3)=[N:3][CH:4]=[C:5]([CH2:34][N:35]3[CH2:36][CH2:37][N:38]([S:41]([CH3:44])(=[O:42])=[O:43])[CH2:39][CH2:40]3)[CH:6]=2)[N:9]=1

Participants

Reactant 3

HCID 16244170HCID 16244170, compound

HCID 18379835HCID 18379835, compound

HCID 666116314-(2-fluoro-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine

Product 1

HCID 178433362HCID 178433362, compound

Procedure

The title compound was prepared in an analogous manner to that described in Example 246 using 4-(2-fluoro-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine and a mixture of 1-(4-methoxybenzyl)-1H-benzo[d]imidazol-5-amine and 1-(4-methoxybenzyl)-1H-benzo[d]imidazol-6-amine regioisomers, and was isolated as yellow amorphous solid (5.5%). m/z (ESI, +ve ion) 495.2 (M+H)+. 1H NMR (400 MHz, d6-DMSO) δ 12.29 (1H, br. s.); 12.04 (1H, br. s.); 8.72 (1H, d, J=2.5 Hz); 8.39 (1H, br. s.); 8.25 (1H, d, J=2.3 Hz); 8.11 (1H, s); 7.80-7.86 (1H, m); 7.72 (1H, br. s.); 7.51 (1H, br. s.); 7.37 (1H, br. s.); 3.50 (2H, s); 3.11 (4H, d, J=4.5 Hz); 2.87 (3H, s); 2.50 (4H, s); 2.47 (3H, s).

Sources & evidence

ORD record: ord-bff1a1fac4994deba65c582c885d5edd
Source dataset: uspto-grants-2013_01
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08362241B2

Reaction notes

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